SCHEMBL9117698

SCHEMBL9117698

Cc1ccc(O)c(C(=O)CCCCBr)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
POLB P06746 1/20 0.52
CSNK2A1 P68400 1/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HTT P42858 4/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 3/20 0.49
PLA2G1B P04054 1/20 0.46
XBP1 P17861 1/20 0.46
ALOX12 P18054 1/20 0.46
KCNH2 Q12809 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL9116180 0.98 RAB9A (0.51) RAB9APOLBCSNK2A1MEN1KMT2A
SCHEMBL10786547 0.90 CSNK2A1 (0.58) RAB9APOLBCSNK2A1MEN1KMT2A
SCHEMBL27954307 0.84 HTT (0.58) RAB9APOLBCSNK2A1MEN1KMT2A
SCHEMBL10596742 0.84 HTT (0.58) RAB9APOLBCSNK2A1MEN1KMT2A
SCHEMBL27954283 0.84 HTT (0.58) RAB9APOLBCSNK2A1MEN1KMT2A
SCHEMBL8085885 0.84 HTT (0.58) RAB9APOLBCSNK2A1MEN1KMT2A
SCHEMBL27954310 0.84 HTT (0.58) RAB9APOLBCSNK2A1MEN1KMT2A
SCHEMBL9768518 0.84 HTT (0.58) RAB9APOLBCSNK2A1MEN1KMT2A
SCHEMBL27944650 0.84 HTT (0.58) RAB9APOLBCSNK2A1MEN1KMT2A
SCHEMBL8712689 0.83 CSNK2A1 (0.55) RAB9APOLBCSNK2A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 WO disclosed