SCHEMBL9790650

SCHEMBL9790650

Cc1ccc(CC2CCCC/C2=C\C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
OPRK1 P41145 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 3/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL9790654 1.00 PTGS1 (0.45) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9790656 1.00 PTGS1 (0.45) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9790817 0.88 CAMK2A (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9790818 0.88 CAMK2A (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9790676 0.88 CAMK2A (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9790853 0.88 CAMK2A (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9790681 0.88 CAMK2A (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9790856 0.88 CAMK2A (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9790703 0.86 PTGS1 (0.42) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9790707 0.86 PTGS1 (0.42) PTGS1PTGS2OPRK1HTTKMT2A

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
US-5057513-A Platelet activating factor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-15 US disclosed
EP-0399424-A1 Thiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-11-28 EP disclosed