SCHEMBL28842020

SCHEMBL28842020

CCCc1ccc(-c2ccccc2)cc1.OBO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
MCL1 Q07820 1/20 0.49
KCNH2 Q12809 1/20 0.47
HSD11B1 P28845 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RARB P10826 2/20 0.46
MMP12 P39900 2/20 0.46
TAAR1 Q96RJ0 2/20 0.45
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL1951510 0.91 FFAR1 (0.54) FFAR1MCL1KCNH2HSD11B1HPGD
SCHEMBL28842038 0.88 RARB (0.61) FFAR1HSD11B1HPGDALDH1A1MAPT
Boric Acid SCHEMBL31374401 0.88 LPL (0.55) FFAR1MCL1KCNH2HSD11B1HPGD
Bicarbonate SCHEMBL27643185 0.88 FFAR1 (0.62) FFAR1MCL1HPGDSMN1; SMN2ALDH1A1
Ethyne SCHEMBL28568325 0.87 FFAR1 (0.50) FFAR1MCL1KCNH2HSD11B1HPGD
SCHEMBL7471221 0.87 TDP1 (0.56) KCNH2HPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3768298 0.86 RARB (0.62) HSD11B1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL28842036 0.85 RARB (0.63) HSD11B1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL5595170 0.83 MCL1 (0.53) FFAR1MCL1KCNH2HSD11B1HPGD
Biphenyl SCHEMBL27726761 0.83 MMP3 (0.56) FFAR1MCL1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773503-B Boron-containing organic silicon tackifier and preparation method and application thereof 广东万木新材料科技有限公司 2022-08-19 CN claimed
CN-113773503-B Boron-containing organic silicon tackifier and preparation method and application thereof 广东万木新材料科技有限公司 2022-08-19 CN disclosed