SCHEMBL9054136

SCHEMBL9054136

COc1ccc(CCCCCC2(C(=O)O)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP4F2 P78329 4/20 0.46
CYP4A11 Q02928 4/20 0.46
TSHR P16473 1/20 0.45
ALOX5 P09917 1/20 0.45
CALM1 P0DP23 1/20 0.44
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LTB4R Q15722 1/20 0.43

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
SCHEMBL8587309 0.89 KMT2A (0.50) CYP1A2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL22921238 0.81 MAPT (0.43) ALOX5
SCHEMBL22921371 0.81 MAPT (0.43) ALOX5
SCHEMBL22921367 0.81 MAPT (0.43) ALOX5
SCHEMBL6627416 0.80 ITGB1 (0.47) TSHR
SCHEMBL25354375 0.80 ALDH1A1 (0.42) HPGDCYP4F2CYP4A11
SCHEMBL10697668 0.79 TSHR (0.43) CYP4F2CYP4A11TSHR
SCHEMBL9553237 0.79 TBXAS1 (0.41) CYP2C19CYP4F2CYP4A11
SCHEMBL6626906 0.79 ALDH1A1 (0.48)
SCHEMBL25996858 0.77 ALDH1A1 (0.39) HPGDL3MBTL1

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
WO-1996006061-A2 LATERALLY SUBSTITUTED CHLOROARENES, THEIR MANUFACTURE AND MIXTURES CONTAINING THEM WOJSKOWA AKADEMIA TECHNICZNA (PL) 1996-02-29 WO disclosed
WO-1996006073-A1 LIQUID CRYSTAL MATERIALS WOJSKOWA AKADEMIA TECHNICZNA (PL) 1996-02-29 WO disclosed