SCHEMBL28159348

SCHEMBL28159348

COc1cnc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 8/20 0.43
ASPH Q12797 2/20 0.43
KDM8 Q8N371 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 4/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
APEX1 P27695 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30968741 1.00 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKDM4EASPHKDM8
SCHEMBL28263946 0.88 CYP1A2 (0.42) SMN1; SMN2LMNAKDM4EASPHKDM8
SCHEMBL27976863 0.88 KDM4E (0.44) SMN1; SMN2LMNAKDM4EASPHKDM8
SCHEMBL24342426 0.82 MAPT (0.37) SMN1; SMN2LMNAKDM4EASPHKDM8
SCHEMBL312811 0.81 TSHR (0.43) LMNAKDM4EMAPTTSHRPOLB
SCHEMBL21819468 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKDM4EASPHKDM8
SCHEMBL29543556 0.81 MAPT (0.43) LMNAKDM4EMAPTTSHRALDH1A1
SCHEMBL31032837 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKDM4EASPHKDM8
SCHEMBL362125 0.81 ALDH1A1 (0.44) SMN1; SMN2LMNAKDM4EMAPTTSHR
SCHEMBL26910317 0.81 MAPT (0.43) LMNAKDM4EMAPTTSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808102-B 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2021-12-31 CN claimed
CN-111808102-A 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2020-10-23 CN claimed
CN-109467531-A A kind of preparation method of substituted pyridines dicarboxylic acid derivatives 沈阳科创化学品有限公司 2019-03-15 CN claimed
CN-106967213-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2017-07-21 CN claimed
CN-111808102-B 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2021-12-31 CN disclosed
CN-111808102-B 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2021-12-31 CN disclosed
CN-111808102-A 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2020-10-23 CN disclosed
CN-111808102-A 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2020-10-23 CN disclosed
CN-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 CN disclosed
CN-109666166-A A kind of energy-absorbing method based on dynamic crosslinking polymer 翁秋梅 2019-04-23 CN disclosed
CN-109666160-A A kind of dynamic aggregation object with hybrid cross-linked network 翁秋梅 2019-04-23 CN disclosed
CN-109467531-A A kind of preparation method of substituted pyridines dicarboxylic acid derivatives 沈阳科创化学品有限公司 2019-03-15 CN disclosed
CN-109467531-A A kind of preparation method of substituted pyridines dicarboxylic acid derivatives 沈阳科创化学品有限公司 2019-03-15 CN disclosed
CN-109096294-A The preparation method of pyridine compounds 周银平 2018-12-28 CN disclosed
CN-107698748-A A kind of dynamic aggregation thing of hybrid cross-linked network and its application 翁秋梅 2018-02-16 CN disclosed
CN-107235895-A The method for preparing the dicarboxylic acid derivatives of 5 methoxypicoline 2,3 of substitution 巴斯夫欧洲公司 2017-10-10 CN disclosed
CN-102245575-B Process for preparing substituted 5-methoxymethylpyridine-2, 3-dicarboxylic acid derivatives 巴斯夫欧洲公司 2017-07-28 CN disclosed
CN-106967213-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2017-07-21 CN disclosed