SCHEMBL9513604

SCHEMBL9513604

CC(NS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.50
ALDH1A1 P00352 3/20 0.50
ESR1 P03372 2/20 0.50
CYP3A4 P08684 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
UQCRB P14927 3/20 0.49
CYP2C19 P33261 1/20 0.49
NR3C2 P08235 1/20 0.49
CYTH2 Q99418 1/20 0.47
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCAT1 P54687 1/20 0.44
HSD17B2 P37059 1/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL9765329 0.85 MEN1 (0.51) ESR2ALDH1A1ESR1CYP3A4MEN1
SCHEMBL9512076 0.78 TBXA2R (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL6903823 0.75 NR3C2 (0.53) ALDH1A1MEN1KMT2ACYP2C19NR3C2
SCHEMBL9707019 0.75 ALDH1A1 (0.49) ALDH1A1ESR1MEN1KMT2ACYP2C19
SCHEMBL28404277 0.73 CYP2C19 (0.51) ALDH1A1KMT2ACYP2C19NR3C2CYTH2
SCHEMBL1479992 0.73 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2AUQCRB
SCHEMBL349527 0.73 MAPT (0.66) ALDH1A1CYP3A4MEN1KMT2ACYP2C19
Bisphenol A SCHEMBL10477991 0.73 ESR2 (0.68) ESR2ALDH1A1ESR1CYP3A4MEN1
SCHEMBL1479993 0.73 ALDH1A1 (0.56) ALDH1A1KMT2ACYP2C19SMN1; SMN2CA1
SCHEMBL7984128 0.72 BLM (0.48) ALDH1A1ESR1CYP3A4MEN1KMT2A

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-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP disclosed