SCHEMBL8992450

SCHEMBL8992450

C=CCC(C(=O)O)(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KIF11 P52732 5/20 0.37
TGM2 P21980 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8358191 0.83 ALDH1A1 (0.67) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL19617612 0.78 ALDH1A1 (0.51) ALDH1A1TSHRHTTSMN1; SMN2NPC1
SCHEMBL2220563 0.76 CYP2C19 (0.42) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL1253192 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28308644 0.72 ALDH1A1 (0.38) ALDH1A1TSHRATMSMN1; SMN2KMT2A
SCHEMBL16521732 0.72 MAPT (0.47) ALDH1A1TSHRATMHTTSMN1; SMN2
SCHEMBL28305527 0.71 CYP2C19 (0.52) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL11763498 0.71 CA2 (0.45) ALDH1A1TSHRATMHTTSMN1; SMN2
SCHEMBL30434481 0.71 ATM (0.45) ALDH1A1TSHRATMHTTSMN1; SMN2
SCHEMBL20556968 0.70 TSHR (0.41) ALDH1A1TSHRATMHTTSMN1; 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
EP-0445749-B1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1996-07-10 EP disclosed
US-5256824-A Anticholinergic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0445749-A1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed