SCHEMBL10357654

SCHEMBL10357654

Cc1ccc(S(=O)(=O)NC2CCCc3cc(OCC(=O)O)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
TBXA2R P21731 2/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
BDKRB1 P46663 1/20 0.45
KCNA5 P22460 2/20 0.45
POLB P06746 1/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
ALOX12 P18054 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
SCHEMBL10358270 0.91 CYP1A2 (0.56) CYP1A2ALDH1A1HTTTBXA2RALOX15
SCHEMBL10357552 0.90 CYP1A2 (0.51) CYP1A2ALDH1A1HTTTBXA2RALOX15
SCHEMBL10357581 0.90 CYP1A2 (0.51) CYP1A2ALDH1A1HTTTBXA2RALOX15
SCHEMBL10358326 0.87 PPARD (0.50) CYP1A2ALDH1A1HTTALOX15TSHR
SCHEMBL10462970 0.87 MAPT (0.51) CYP1A2ALDH1A1HTTALOX15TSHR
SCHEMBL10549765 0.84 KDM4C (0.50) ALDH1A1ALOX15TSHRHSD17B10MEN1
SCHEMBL10592429 0.82 PPARG (0.47) ALDH1A1TBXA2RHPGDPOLBGLA
SCHEMBL10357321 0.81 CA1 (0.49) CYP1A2ALDH1A1HTTTBXA2RMEN1
SCHEMBL10464117 0.81 PDE4A (0.49) CYP1A2ALDH1A1HTTMEN1KMT2A
SCHEMBL251462 0.79 CA1 (0.47) CYP1A2ALDH1A1HTTTBXA2RMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253257-B1 SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHYL-OXYACETIC ACIDS, METHOD FOR THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS BAYER AG (DE) 1990-11-14 EP disclosed
US-4921998-A ANTICOAGULANTS, ANTIISCHEMIC AGENTS, ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
US-4868331-A ANTICOAGULANTS, ANTIATHEROSCLEROTIC, ANTIISCHEMIC BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
EP-0253257-A2 Substituted amino-5,6,7,8-tetrahydronaphthyl-oxyacetic acids, method for their preparation and their application as medicaments BAYER AG (DE) 1988-01-20 EP disclosed