SCHEMBL3939893

SCHEMBL3939893

O=C(CC=Cc1ccccc1Cl)CN1CCN(C2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 7/20 0.44
RGS12 O14924 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX12 P18054 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
F2R P25116 1/20 0.39
ATM Q13315 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL3943715 0.86 ALDH1A1 (0.44) ALDH1A1KDM4ERGS12MEN1KMT2A
SCHEMBL3937178 0.79 NFE2L2 (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL3944887 0.78 ALDH1A1 (0.45) ALDH1A1KDM4ERGS12MEN1KMT2A
SCHEMBL3944112 0.77 ALDH1A1 (0.47) ALDH1A1KDM4ERGS12MEN1KMT2A
SCHEMBL3769364 0.76 L3MBTL1 (0.60) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3769370 0.76 L3MBTL1 (0.60) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1399169 0.74 L3MBTL1 (0.61) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL1399170 0.74 L3MBTL1 (0.61) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL27524301 0.74 HDAC1 (0.51) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1399085 0.74 L3MBTL1 (0.60) ALDH1A1KDM4EMAPTNPC1RAB9A

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
EP-2046748-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-15 EP disclosed
WO-2007147822-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO disclosed