SCHEMBL9025820

SCHEMBL9025820

CC(C)CCOC(=O)C1CCC(C(=O)O)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP19A1 P11511 1/20 0.32
PKM P14618 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9025811 0.93 PPARG (0.41) PPARGCA12CA1CA2CA9
SCHEMBL9026311 0.83 RAB9A (0.42) RAB9AALDH1A1
SCHEMBL8786253 0.81 PPM1B (0.49) PPM1BPTPN1PPP1CCNPSR1RAB9A
SCHEMBL8785622 0.79 ALDH1A1 (0.41) PPARGPPM1BPTPN1PPP1CCKDM4E
SCHEMBL9032290 0.78 PPM1B (0.46) PPM1BPTPN1PPP1CCGAAKDM4E
SCHEMBL9026366 0.76 PPARG (0.45) PPARGPPM1BPTPN1NPSR1GAA
SCHEMBL9026303 0.75 TSHR (0.39) RAB9AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL1297675 0.75 PPARG (0.50) PPARGCA12CA1CA2CA9
SCHEMBL8785015 0.74 TSHR (0.33) ALDH1A1
SCHEMBL1295718 0.73 PPARG (0.47) PPARGCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719774-A1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-07-03 EP disclosed
US-5310940-A Sulfiding, cyclization SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1994-05-10 US disclosed
US-5221749-A Reacting a thiophene,2,5-dicarboxylic acid diester with a 2-aminophenol in the presence of an acid catalyst SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-06-22 US disclosed
US-5093504-A PRODUCTION OF THIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS, TETRAHYDROTHIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS AND DIBENZOXAZOLYLTHIOPHENES SUMITOMO SEIKA CHEMICALS, CO., LTD. (JP) 1992-03-03 US disclosed
EP-0387725-A2 Production of thiophene-2,5-dicarboxylic acid diesters and tetrahydrothiophene-2,5-dicarboxylic acid diesters SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1990-09-19 EP disclosed