SCHEMBL9203559

SCHEMBL9203559

CC1=C(C(=O)Nc2cc(C(=O)OC(C)C)c(C)cc2F)SCCO1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
KMT2A Q03164 10/20 0.48
MEN1 O00255 5/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADRB2 P07550 1/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9201567 0.93 MAPK1 (0.49) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9197103 0.90 KMT2A (0.51) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9198177 0.86 RAB9A (0.56) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9203461 0.82 MAPK1 (0.55) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9197895 0.82 MAPK1 (0.57) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL29456993 0.76 MAPK1 (0.55) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9198223 0.76 MAPK1 (0.55) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9201568 0.76 MAPK1 (0.51) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9207070 0.75 MAPK1 (0.50) RAB9AKMT2AMEN1MAPK1HSD17B10
SCHEMBL9203357 0.74 MAPK1 (0.63) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed
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
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US disclosed