SCHEMBL9668282

SCHEMBL9668282

Cc1cc(C2=NCCO2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
ESR2 Q92731 3/20 0.40
ESR1 P03372 2/20 0.39
FGFR1 P11362 1/20 0.39
AR P10275 1/20 0.39
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCARB1 Q8WTV0 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9700423 0.81 CA1 (0.46) SCARB1CYP2C19
SCHEMBL9863124 0.81 APP (0.37) SCARB1
SCHEMBL9863041 0.80 ESR1 (0.39) ESR2ESR1
SCHEMBL7832996 0.80 SCARB1 (0.37) MEN1KMT2ASCARB1
SCHEMBL9668261 0.80 ESR1 (0.41) HSD17B1HSD17B2ESR2ESR1FGFR1
SCHEMBL9862880 0.80 ALDH1A1 (0.44) MEN1KMT2ACYP3A4
SCHEMBL9666810 0.80 ESR2 (0.44) HSD17B1HSD17B2ESR2ESR1
SCHEMBL9666112 0.80 POLB (0.47) MEN1KMT2A
SCHEMBL9863172 0.80 HSP90AA1 (0.39) ESR2ESR1
SCHEMBL9863426 0.80 HSD17B1 (0.45) HSD17B1ESR2ESR1AR

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-0137242-B1 (SUBSTITUTED) PHENYL-ALIPHATIC-ISOXAZOLES USEFUL AS ANTIVIRAL AGENTS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-05-13 EP disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0137242-A2 (Substituted) Phenyl-aliphatic-isoxazoles useful as antiviral agents and preparation thereof STERLING WINTHROP INC. (US) 1985-04-17 EP disclosed