SCHEMBL9806483

SCHEMBL9806483

CCOC(=O)N(O)Cc1cccc(Nc2ccccc2C(=O)O)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
PTGS2 P35354 2/20 0.53
AKR1C3 P42330 2/20 0.53
KMT2A Q03164 2/20 0.53
HIF1A Q16665 2/20 0.53
AKR1B10 O60218 1/20 0.53
TRPA1 O75762 1/20 0.53
ABCB11 O95342 1/20 0.53
DHFR P00374 1/20 0.53
MPO P05164 1/20 0.53
CHRM1 P11229 1/20 0.53
AKR1B1 P15121 1/20 0.53
PTGS1 P23219 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
NAPRT Q6XQN6 1/20 0.53

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
SCHEMBL9806488 0.90 CDC25B (0.49) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL9806506 0.89 CLCN2 (0.50) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL9806532 0.87 AKR1C3 (0.59) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL9806489 0.83 KMT2A (0.56) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL9806544 0.79 CLCN2 (0.68) MEN1PTGS2AKR1C3KMT2AAKR1B10
SCHEMBL9806503 0.79 CDC25B (0.47) LMNACYP1A2PTGS2KMT2AMAPT
SCHEMBL9806509 0.77 MAPT (0.49) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL9806514 0.77 AKR1C3 (0.57) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL18873558 0.76 AKR1C3 (0.66) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL9806495 0.74 MAPT (0.46) MEN1LMNACYP1A2CYP3A4CYP2C9

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
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US claimed