SCHEMBL9765288

SCHEMBL9765288

COc1cc(CC(C)NS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
HTT P42858 2/20 0.51
THRB P10828 1/20 0.50
BCHE P06276 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
APP P05067 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL9765309 0.87 ALDH1A1 (0.50) HTTTHRBALDH1A1MAPTHSD17B10
SCHEMBL9765315 0.83 HTT (0.49) HTTTHRBALDH1A1HSD17B10CYP1A2
SCHEMBL16929960 0.80 KMT2A (0.57) ADRA1DADRA1AADRA1BHTTBCHE
SCHEMBL9765299 0.80 SMN1; SMN2 (0.51) HTTALDH1A1MTNR1AMTNR1BMAPT
SCHEMBL5018761 0.79 MEN1 (0.58) BCHEALDH1A1MTNR1AMTNR1BMAPT
SCHEMBL20058881 0.78 TRPM8 (0.55) ADRA1DADRA1AADRA1BHTTBCHE
SCHEMBL27284050 0.77 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6795931 0.76 MEN1 (0.55) BCHECYP1A2CYP2C9NPC1RAB9A
SCHEMBL27598330 0.76 BCHE (0.58) BCHEALDH1A1MTNR1AMTNR1BMAPT
SCHEMBL9765301 0.76 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19POLB

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-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed