SCHEMBL9813437

SCHEMBL9813437

COC(=O)Cc1ccc(CCCSc2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.47
F2RL1 P55085 1/20 0.47
ATM Q13315 1/20 0.46
ALOX5 P09917 1/20 0.46
CALM1 P0DP23 1/20 0.45

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
SCHEMBL9813458 0.88 KDM4E (0.52) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL9813466 0.86 MAPT (0.61) CYP4F2CYP4A11MAPTALDH1A1KDM4E
SCHEMBL15522689 0.85 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1HTTF2RL1
SCHEMBL9813805 0.84 ALDH1A1 (0.51) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL10581485 0.83 KMT2A (0.48) MTNR1AMTNR1BALDH1A1LMNAKDM4E
Acetic Acid SCHEMBL10581481 0.81 ALDH1A1 (0.54) MTNR1AMTNR1BMAPTALDH1A1LMNA
Acetic Acid Methyl Ester SCHEMBL10581477 0.81 ALDH1A1 (0.57) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL313139 0.81 HTT (0.69) CYP4F2CYP4A11ALDH1A1KDM4EHTT
SCHEMBL5824030 0.80 MAPT (0.46) CYP4F2CYP4A11MTNR1AMTNR1BMAPT
SCHEMBL12470557 0.80 ALDH1A1 (0.62) MTNR1AMTNR1BMAPTALDH1A1LMNA

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-0297768-B1 ARYLTHIOALKYLPHENYL CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING SAME AND METHOD OF USE E.R. Squibb & Sons, Inc. (US) 1991-07-24 EP claimed
EP-0297768-A1 Arylthioalkylphenyl carboxylic acids, compositions containing same and method of use E.R. Squibb & Sons, Inc. (US) 1989-01-04 EP claimed
US-4752616-A Arylthioalkylphenyl carboxylic acids, compositions containing same and method of use E. R. SQUIBB & SONS, INC. (US) 1988-06-21 US claimed
EP-0297768-B1 ARYLTHIOALKYLPHENYL CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING SAME AND METHOD OF USE E.R. Squibb & Sons, Inc. (US) 1991-07-24 EP disclosed
US-4752616-A Arylthioalkylphenyl carboxylic acids, compositions containing same and method of use E. R. SQUIBB & SONS, INC. (US) 1988-06-21 US disclosed