SCHEMBL30516647

SCHEMBL30516647

COc1cncc(-c2ccc(CO)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.60
CYP11B2 P19099 12/20 0.60
MKNK1 Q9BUB5 2/20 0.59
MKNK2 Q9HBH9 2/20 0.59
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
MAP4K4 O95819 1/20 0.48
FYN P06241 3/20 0.47
CYP2C19 P33261 1/20 0.46
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL25366032 1.00 CYP11B1 (0.60) CYP11B1CYP11B2MKNK1MKNK2CYP1A2
SCHEMBL4621587 0.85 FYN (0.67) CYP11B1CYP11B2MKNK1MKNK2MAP4K4
SCHEMBL486081 0.85 CYP11B1 (0.58) CYP11B1CYP11B2MKNK1MKNK2CYP1A2
SCHEMBL16675835 0.83 CYP11B1 (0.78) CYP11B1CYP11B2MKNK1MKNK2CYP1A2
SCHEMBL22084643 0.83 MKNK1 (0.59) CYP11B1CYP11B2MKNK1MKNK2CYP1A2
SCHEMBL21960161 0.82 CYP11B1 (0.73) CYP11B1CYP11B2MKNK1MKNK2CYP1A2
SCHEMBL24226868 0.81 CYP11B1 (0.54) CYP11B1CYP11B2MKNK1MKNK2CYP1A2
SCHEMBL26784208 0.80 ABL1 (0.62) CYP1A2CYP3A4CYP2C9CYP1A1CYP1B1
SCHEMBL5702666 0.80 CYP1A1 (0.74) CYP11B1CYP11B2MKNK1MKNK2CYP1A2
SCHEMBL15296276 0.79 CYP11B1 (0.64) CYP11B1CYP11B2MKNK1MKNK2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119013017-A Pharmaceutical composition for treating cancer comprising an anticancer agent and a novel compound having an inhibitory activity on prostaglandin E2 receptor 治纳辅医药科技有限公司 2024-11-22 CN disclosed
WO-2023158221-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER, COMPRISING ANTICANCER AGENT AND NOVEL COMPOUND HAVING INHIBITORY ACTIVITY WITH RESPECT TO PROSTAGLANDIN E2 RECEPTORS 주식회사 카나프테라퓨틱스 2023-08-24 WO disclosed
CN-116529238-A Novel prostaglandin E 2 Compounds with receptor inhibiting activity and uses thereof 治纳辅医药科技有限公司 2023-08-01 CN disclosed