SCHEMBL9745316

SCHEMBL9745316

CC1=C(C(=O)Nc2cc(C(=O)O)ccc2C)SCCO1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.73
KMT2A Q03164 7/20 0.70
MEN1 O00255 3/20 0.70
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
ADRB2 P07550 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL9198342 0.85 KMT2A (0.70) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL11375431 0.81 MAPK1 (0.71) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9442138 0.81 MAPK1 (0.74) RAB9AKMT2AMEN1MAPK1HSD17B10
Carboxin SCHEMBL18392 0.75 MAPK1 (1.00) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL14439499 0.74 HSD17B10 (0.68) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9198177 0.74 RAB9A (0.56) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL3971421 0.73 MAPK1 (0.67) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL11163951 0.72 MAPK1 (0.64) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9206415 0.71 MAPK1 (0.60) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9206336 0.71 MAPK1 (0.64) RAB9AKMT2AMEN1MAPK1HSD17B10

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-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP claimed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO claimed