SCHEMBL29155698

SCHEMBL29155698

Nc1cccc(-c2ccccc2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.58
MAOA P21397 1/20 0.53
UCHL5 Q9Y5K5 2/20 0.53
HNF4A P41235 1/20 0.53
BCAT2 O15382 1/20 0.52
MYC P01106 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MECP2 P51608 1/20 0.46
MAP4K4 O95819 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PBRM1 Q86U86 1/20 0.46

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
SCHEMBL30690111 1.00 MCL1 (0.58) MCL1MAOAUCHL5HNF4ABCAT2
SCHEMBL17744897 0.88 MCL1 (0.57) MCL1MAOAUCHL5HNF4ABCAT2
SCHEMBL689031 0.87 HNF4A (0.62) MCL1UCHL5HNF4ABCAT2MYC
SCHEMBL28367654 0.86 MCL1 (0.55) MCL1MAOAUCHL5HNF4ABCAT2
SCHEMBL6852742 0.86 HNF4A (0.69) MCL1MAOAUCHL5HNF4AMYC
SCHEMBL9185623 0.86 MCL1 (0.58) MCL1MAOAUCHL5HNF4AALDH1A1
SCHEMBL1456885 0.86 BCAT2 (0.67) MCL1MAOABCAT2ALDH1A1GAA
SCHEMBL10911539 0.85 MYC (0.50) MCL1UCHL5HNF4ABCAT2MYC
SCHEMBL21840413 0.85 MYC (0.50) MCL1UCHL5HNF4ABCAT2MYC
Hydrochloric Acid SCHEMBL28414121 0.85 HNF4A (0.67) MCL1MAOAUCHL5HNF4AMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343556-A Bio-based compound modified cracking carbon black and application thereof in tire preparation 中策橡胶集团股份有限公司 2024-01-05 CN claimed
CN-117247639-A Tire inner liner rubber composition containing bio-based modified cracking carbon black, mixing method and tire 中策橡胶集团股份有限公司 2023-12-19 CN claimed
CN-117247608-A Tire pad rubber composition containing bio-based modified cracking carbon black, mixing method and tire 中策橡胶集团股份有限公司 2023-12-19 CN claimed
CN-117343556-A Bio-based compound modified cracking carbon black and application thereof in tire preparation 中策橡胶集团股份有限公司 2024-01-05 CN disclosed
CN-117247639-A Tire inner liner rubber composition containing bio-based modified cracking carbon black, mixing method and tire 中策橡胶集团股份有限公司 2023-12-19 CN disclosed
CN-117247608-A Tire pad rubber composition containing bio-based modified cracking carbon black, mixing method and tire 中策橡胶集团股份有限公司 2023-12-19 CN disclosed