SCHEMBL6553778

SCHEMBL6553778

CC1(C)C2CCC1(C=C(CS(=O)(=O)O)c1ccccc1)C(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1768748 0.86 CYP1A2 (0.40) CYP1A2CYP2C19CYP2D6CYP2C9KDM4E
SCHEMBL2903789 0.82 CYP1A2 (0.42) CYP1A2CYP2C19CYP2D6CYP2C9KDM4E
SCHEMBL19421 0.80 MEN1 (0.41) CYP1A2CYP2C19CYP2D6CYP2C9KDM4E
SCHEMBL150729 0.79 MEN1 (0.41) CYP1A2CYP2C19CYP2D6CYP2C9KDM4E
SCHEMBL20455791 0.70 KMT2A (0.44) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL345420 0.68 TRPM8 (0.37) CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL9225690 0.68 KMT2A (0.55) CYP1A2CYP2C19KDM4EKMT2AMEN1
Methylamine SCHEMBL27521765 0.68 MEN1 (0.41) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
Biphenyl SCHEMBL27678174 0.68 CYP1A2 (0.67) CYP1A2CYP2C19CYP2D6CYP2C9KDM4E
Biphenyl SCHEMBL6256258 0.67 CYP1A2 (0.66) CYP1A2CYP2C19CYP2D6CYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025216872-A1 UV ABSORBING COSMETIC COMPOSITIONS THAT EXHIBIT SUN PROTECTION FACTOR BOOSTING IN THE PRESENCE OF BIODEGRADABLE CELLULOSE ESTER MICROBEADS EASTMAN CHEMICAL COMPANY (US) 2025-10-16 WO claimed
WO-2025216872-A1 UV ABSORBING COSMETIC COMPOSITIONS THAT EXHIBIT SUN PROTECTION FACTOR BOOSTING IN THE PRESENCE OF BIODEGRADABLE CELLULOSE ESTER MICROBEADS EASTMAN CHEMICAL COMPANY (US) 2025-10-16 WO disclosed
CN-109069384-B 10-hydroxystearic acid composition 帝斯曼知识产权资产管理有限公司 2022-10-18 CN disclosed
CN-109069381-B 10-hydroxystearic acid composition 帝斯曼知识产权资产管理有限公司 2021-11-30 CN disclosed
CN-107072902-B Use of cosmetic compositions comprising 10-hydroxystearic acid 帝斯曼知识产权资产管理有限公司 2021-01-19 CN disclosed
EP-1000950-B1 Novel indanylidene compounds HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-0933376-B1 Silanyl-triazines as light screening compositions HOFFMANN LA ROCHE (CH) 2003-08-20 EP disclosed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US disclosed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP disclosed
US-6018044-A TRIS((ALKYL, SILANE, OLIGOSILOXANE OR POLYSILOXANE)(OXY OR AMINO)CARBONYL-(1,4-PHENYLENE)-AMINO)-S-TRIAZINES HAVING AT LEAST ONE SILICON CONTAINING MOIETY OF GIVEN FORMULA; USE AS UV-B FILTERS IN LIGHT SCREENING COMPOSITIONS ROCHE VITAMINS INC. (US) 2000-01-25 US disclosed
EP-0933376-A2 Silanyl-triazines as light screening compositions F. HOFFMANN-LA ROCHE AG (CH) 1999-08-04 EP disclosed