SCHEMBL10812072

SCHEMBL10812072

CC(Oc1ccc(Cl)cc1)C(=O)N1CCSC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ HPGD P15428 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL16826429 0.72 ALOX15 (0.54) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL18129134 0.71 KMT2A (0.43) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL117259 0.69 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL2399722 0.69 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL607372 0.69 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL16826292 0.69 HPGD (0.52) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL16825683 0.69 HPGD (0.52) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL16825685 0.69 HPGD (0.52) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11609533 0.68 KMT2A (0.40) KMT2AHPGDCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11632943 0.67 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090312-B1 3-ACYL SUBSTITUTED DERIVATIVES OF 2- OR 4-THIAZOLIDINE-CARBOXYLIC ACID HAVING A PHYTO GROWTH REGULATING AND BIOSTIMULATING ACTION Montedison S.p.A. (IT) 1987-09-09 — — EP disclosed
US-4685954-A 3-acyl substituted of 2- or 4-thiazolidine-carboxylic acid having a phyto growth regulating and biostimulating action MONTEDISON S.P.A (IT) 1987-08-11 — — US disclosed
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