SCHEMBL10499136

SCHEMBL10499136

COc1c(C)cc(Cl)cc1C(O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.35
TPMT P51580 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
SCN4A P35499 4/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10499621 0.76 TAS1R3 (0.39) NPSR1KDM4EALDH1A1GAASCN4A
SCHEMBL12412401 0.75 GABRA1 (0.47) GAASCN4A
Hydrochloric Acid SCHEMBL11040671 0.75 SCN4A (0.33) ALDH1A1GAASCN4A
SCHEMBL28660489 0.74 ERN1 (0.49) TSHRBLMNPSR1KDM4EALDH1A1
SCHEMBL28666073 0.74 ERN1 (0.49) TSHRBLMNPSR1KDM4EALDH1A1
SCHEMBL10500124 0.74 SCN4A (0.34) SCN4A
SCHEMBL1572909 0.74 TSHR (0.49) TSHRBLMNPSR1ALDH1A1
SCHEMBL1572907 0.74 TSHR (0.49) TSHRBLMNPSR1ALDH1A1
SCHEMBL654108 0.73 TSHR (0.50) TSHRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL1988952 0.73 KDM4E (0.54) KDM4EALDH1A1TPMTGAAMRGPRX4

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-0117035-B1 ALDOSE REDUCTASE INHIBITING 5-(2-ALKOXYPHENYL)THIAZOLIDINEDIONES PFIZER INC. (US) 1989-08-16 EP disclosed
US-4617312-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1986-10-14 US disclosed
EP-0117035-A2 Aldose reductase inhibiting 5-(2-alkoxyphenyl)thiazolidinediones PFIZER INC. (US) 1984-08-29 EP disclosed