SCHEMBL9800255

SCHEMBL9800255

CN1C=C(c2ccccc2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 4/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 3/20 0.38
BRD4 O60885 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.36
SRD5A1 P18405 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
CCKBR P32239 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
LMNA P02545 1/20 0.35
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34

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
SCHEMBL9918967 0.84 CFTR (0.39) PARLALDH1A1RAB9ABRD4NPC1
SCHEMBL18194345 0.68 ALDH1A1 (0.37) ALDH1A1PKM
SCHEMBL9319064 0.67 NPC1 (0.35) PARLALDH1A1RAB9ABRD4SMN1; SMN2
SCHEMBL9320291 0.67 BRD4 (0.34) ALDH1A1RAB9ABRD4SMN1; SMN2PKM
SCHEMBL10284043 0.65 SMN1; SMN2 (0.53) ALDH1A1RAB9ASMN1; SMN2PKMRECQL
SCHEMBL9581409 0.65 KMT2A (0.32) ALDH1A1
SCHEMBL20845647 0.64 SHMT2 (0.36) PARLRAB9ABRD4SMN1; SMN2NPC1
SCHEMBL9581412 0.64 KMT2A (0.31) ALDH1A1RAB9ANPC1
Biphenyl SCHEMBL28062042 0.64 BRD4 (0.68) PARLALDH1A1RAB9ABRD4SMN1; SMN2
SCHEMBL10198086 0.64 MAT2A (0.45) PARLALDH1A1RAB9ASMN1; SMN2PKM

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-0417143-A1 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1991-03-20 EP disclosed
WO-1989011856-A2 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1989-12-14 WO disclosed