SCHEMBL30516662

SCHEMBL30516662

COc1cc(F)cc(-c2ccc(Cn3ccc4sc(C)c(C(=O)O)c43)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.39
RXRA P19793 2/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CHRM1 P11229 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
ALKBH1 Q13686 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TPH1 P17752 2/20 0.34
ANO1 Q5XXA6 1/20 0.33

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
SCHEMBL26784942 1.00 BACE1 (0.39) BACE1RXRARXRBRXRGCHRM1
SCHEMBL25366601 0.91 BACE1 (0.38) BACE1RXRARXRBRXRGPPARG
SCHEMBL30557730 0.91 BACE1 (0.38) BACE1RXRARXRBRXRGPPARG
SCHEMBL25364164 0.84 BACE1 (0.41) BACE1PPARGSMN1; SMN2HDAC8
SCHEMBL26034674 0.84 CNR2 (0.43) CNR1CNR2
SCHEMBL26784002 0.82 CNR2 (0.39) BACE1PPARGLMNATP53RXFP1
SCHEMBL30557773 0.82 CNR2 (0.39) BACE1PPARGLMNATP53RXFP1
SCHEMBL26045540 0.82 MAPT (0.34) BACE1RXRARXRBRXRGLMNA
SCHEMBL26784957 0.80 CNR2 (0.39) BACE1LMNACNR1CNR2
SCHEMBL30557726 0.77 BACE1 (0.43) BACE1PPARGLMNATP53SMN1; SMN2

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