SCHEMBL9724910

SCHEMBL9724910

CCC(C)Cc1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.49
CLCN2 P51788 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL9724906 1.00 FOLH1 (0.49) FOLH1CLCN2POLBALDH1A1ALOX15
SCHEMBL2578003 0.86 FOLH1 (0.50) FOLH1CLCN2POLBALDH1A1ALOX15
SCHEMBL29644540 0.86 FOLH1 (0.50) FOLH1CLCN2POLBALDH1A1ALOX15
SCHEMBL7758673 0.86 FOLH1 (0.49) FOLH1CLCN2ALDH1A1ALOX15TSHR
SCHEMBL1552387 0.85 HMGB1 (0.53) FOLH1CLCN2POLBALDH1A1ALOX15
SCHEMBL8094022 0.84 ALDH1A1 (0.40) FOLH1CLCN2POLBALDH1A1ALOX15
SCHEMBL15543860 0.84 FOLH1 (0.48) FOLH1CLCN2ALDH1A1ALOX15TSHR
SCHEMBL21829032 0.84 FOLH1 (0.48) FOLH1ALDH1A1ALOX15TSHRMEN1
SCHEMBL8085912 0.84 KMT2A (0.39) FOLH1CLCN2POLBALDH1A1TSHR
SCHEMBL27700923 0.84 IRAK4 (0.45) ALDH1A1TSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100579-A POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1992-03-31 US disclosed
EP-0191600-B1 POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1991-12-27 EP disclosed
US-4911861-A Mixture of at least two components AJINOMOTO CO., INC. (JP) 1990-03-27 US disclosed
US-4728458-A FERROELECTRIC AJINOMOTO CO., LTD. (JP) 1988-03-01 US disclosed
EP-0191600-A2 Polyphenyl-based ester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-08-20 EP disclosed
US-4423212-A Nucleosides and process THE UPJOHN COMPANY (US) 1983-12-27 US disclosed
US-4171431-A Nucleosides and process THE UPJOHN COMPANY (US) 1979-10-16 US disclosed