SCHEMBL29958779

SCHEMBL29958779

C=C(Cc1oc2ccc(O)cc2c1C)C(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.43
EYA3 Q99504 2/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL29958557 0.75 ALOX5 (0.48) MAPTMAOA
SCHEMBL23532055 0.75 SLC22A12 (0.44) SLC22A12EYA3MTNR1AMTNR1BGAA
SCHEMBL29958832 0.72 ALOX5 (0.36) GAAMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL29958628 0.71 RAB9A (0.41)
SCHEMBL11373438 0.69 RAB9A (0.45) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL30160465 0.68 SLC22A12 (0.42) SLC22A12EYA3GAAPOLBMAPT
SCHEMBL23532095 0.68 SLC22A12 (0.42) SLC22A12EYA3GAAPOLBMAPT
SCHEMBL11542270 0.66 MAPT (0.54) GAAMAPTMAPK1MEN1KMT2A
SCHEMBL10795110 0.66 HSD17B3 (0.73) KDM4ECSNK2A2CSNK2BCSNK2A1MAOA
SCHEMBL3978000 0.66 KCNH2 (0.43) SLC22A12EYA3MAPTMAPK1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151541-A Novel compound and use thereof 德彪药业国际股份公司 2022-10-04 CN disclosed