SCHEMBL9201567

SCHEMBL9201567

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 8/20 0.47
MEN1 O00255 5/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 3/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
ADRB2 P07550 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
SCHEMBL9203559 0.93 RAB9A (0.51) MAPK1HSD17B10KMT2AMEN1RAB9A
SCHEMBL9197103 0.91 KMT2A (0.51) MAPK1HSD17B10KMT2AMEN1RAB9A
SCHEMBL9203461 0.85 MAPK1 (0.55) MAPK1HSD17B10KMT2AMEN1RAB9A
SCHEMBL9198177 0.84 RAB9A (0.56) MAPK1HSD17B10KMT2AMEN1RAB9A
SCHEMBL9197895 0.79 MAPK1 (0.57) MAPK1HSD17B10KMT2AMEN1RAB9A
SCHEMBL29456993 0.77 MAPK1 (0.55) MAPK1HSD17B10KMT2AMEN1RAB9A
SCHEMBL9198223 0.77 MAPK1 (0.55) MAPK1HSD17B10KMT2AMEN1RAB9A
SCHEMBL9201568 0.74 MAPK1 (0.51) MAPK1HSD17B10KMT2AMEN1RAB9A
SCHEMBL9203357 0.74 MAPK1 (0.63) MAPK1HSD17B10KMT2AMEN1RAB9A
SCHEMBL9207070 0.74 MAPK1 (0.50) MAPK1HSD17B10KMT2AMEN1RAB9A

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 3 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