SCHEMBL7335125

SCHEMBL7335125

CCOc1c(C)cccc1OC(C)(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL1532728 0.83 CA12 (0.42) PTPN1L3MBTL1TSHRSMN1; SMN2KMT2A
SCHEMBL16479216 0.78 SCN8A (0.42) PTPN1L3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL2522911 0.76 ALDH1A1 (0.47) PTPN1L3MBTL1GLATSHRKMT2A
SCHEMBL14612800 0.73 SMN1; SMN2 (0.53) PTPN1L3MBTL1TSHRSMN1; SMN2KMT2A
SCHEMBL1989131 0.72 ALDH1A1 (0.62) TSHRSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL147753 0.72 SCN4A (0.54) GLATSHRKDM4EALDH1A1HSD17B10
SCHEMBL6259721 0.71 PPARA (0.48) L3MBTL1TSHRSMN1; SMN2KMT2AKDM4E
SCHEMBL16958650 0.70 CHRM2 (0.43) PTPN1L3MBTL1TSHRKDM4ETDP1
SCHEMBL1148349 0.70 NQO1 (0.52) TSHRKMT2AALDH1A1TDP1CYP3A4
SCHEMBL23871139 0.70 PPARA (0.55) L3MBTL1SMN1; SMN2KMT2AKDM4EALDH1A1

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-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 — — EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 — — EP disclosed
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