SCHEMBL9813458

SCHEMBL9813458

COc1ccc(SCCCc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PTGS1 P23219 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
MAPT P10636 1/20 0.48
ALOX5 P09917 2/20 0.47
CALM1 P0DP23 1/20 0.46
FFAR1 O14842 1/20 0.46
PLA2G2A P14555 1/20 0.45
HTT P42858 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
SCHEMBL9813805 0.96 ALDH1A1 (0.51) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL9813437 0.88 CYP4F2 (0.51) KDM4EALDH1A1LMNAMTNR1AMTNR1B
Acetic Acid SCHEMBL10581481 0.85 ALDH1A1 (0.54) KDM4EALDH1A1HPGDLMNAMTNR1A
Acetic Acid Methyl Ester SCHEMBL10581477 0.82 ALDH1A1 (0.57) KDM4EALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL9813446 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10581485 0.81 KMT2A (0.48) KDM4EALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL6932432 0.81 KDM4E (0.62) KDM4EPOLBALDH1A1HPGDPTGS1
SCHEMBL240822 0.80 KDM4E (0.74) KDM4EPOLBALDH1A1HSD17B10PTGS1
SCHEMBL3130467 0.79 ALDH1A1 (0.64) ALDH1A1LMNAMTNR1AMTNR1BFFAR1
Hydrochloric Acid SCHEMBL2022863 0.78 KDM4E (0.72) KDM4EPOLBALDH1A1HSD17B10PTGS1

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 1 patent. 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