SCHEMBL28211381

SCHEMBL28211381

CCCCCCCCCCCCCCCCCc1[nH]c(C(=O)O)nc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.45
HCAR3 P49019 1/20 0.42
GPR84 Q9NQS5 5/20 0.41
HAO1 Q9UJM8 1/20 0.40
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL5701035 0.72 HCAR2 (0.44) HCAR2HCAR3GPR84HAO1BID
SCHEMBL24486059 0.71 GPR84 (0.48) HCAR2GPR84HAO1ALDH1A1ATM
SCHEMBL11411101 0.71 HCAR2 (0.65) HCAR2HCAR3HAO1BIDMCL1
SCHEMBL11365654 0.70 HCAR2 (0.59) HCAR2HCAR3HAO1BIDMCL1
SCHEMBL13646746 0.69 HCAR2 (0.41) HCAR2HCAR3ALDH1A1
SCHEMBL14692540 0.69 CYP2C19 (0.57) HCAR2HCAR3HAO1BIDMCL1
SCHEMBL2823399 0.68 KDM4E (0.43) HCAR2ALDH1A1
SCHEMBL5870591 0.68 HCAR2 (0.38) HCAR2HCAR3HAO1
SCHEMBL3272101 0.68 GPR84 (0.36) HCAR2HCAR3GPR84ALDH1A1ATM
SCHEMBL6469858 0.67 HTT (0.38) HCAR2GPR84HAO1ALDH1A1

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-107983174-A A kind of compound moisture permeable membrane and preparation method thereof 厦门建霖健康家居股份有限公司 2018-05-04 CN claimed
CN-107983174-A A kind of compound moisture permeable membrane and preparation method thereof 厦门建霖健康家居股份有限公司 2018-05-04 CN disclosed