SCHEMBL6937874

SCHEMBL6937874

CC[C@H](C)CC(=O)Oc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.57
ESR1 P03372 2/20 0.44
HIF1A Q16665 2/20 0.44
ESR2 Q92731 1/20 0.42
FFAR1 O14842 1/20 0.40
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MIF P14174 2/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSD17B1 P14061 1/20 0.37

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
SCHEMBL10358648 1.00 ELANE (0.57) ELANEESR1HIF1AESR2FFAR1
SCHEMBL9724815 0.95 ELANE (0.61) ELANEESR1HIF1AFFAR1KMT2A
SCHEMBL9724817 0.95 ELANE (0.61) ELANEESR1HIF1AFFAR1KMT2A
SCHEMBL10421858 0.89 ELANE (0.58) ELANEESR1HIF1AFFAR1KMT2A
SCHEMBL9724797 0.88 ELANE (0.57) ELANEESR1HIF1AFFAR1KMT2A
SCHEMBL10422483 0.88 ELANE (0.57) ELANEESR1HIF1AFFAR1KMT2A
SCHEMBL9724830 0.88 ELANE (0.57) ELANEESR1HIF1AFFAR1KMT2A
SCHEMBL10423518 0.86 ELANE (0.56) ELANEESR1HIF1AFFAR1KMT2A
Hydrochloric Acid SCHEMBL9724794 0.84 HSD17B10 (0.54) ELANEESR1HIF1AKMT2ARECQL
SCHEMBL10421845 0.84 ELANE (0.53) ELANEESR1HIF1AKMT2ARECQL

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
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
EP-0231853-B1 OPTICALLY ACTIVE CARBOXYLIC ACID DERIVATIVES AND LIQUID CRYSTALLINE COMPOSITIONS COMPRISING THEM DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-11-22 EP disclosed
US-4914224-A HIGH-SPEED RESPONSE, WIDE TEMPERATURE RANGE, CHIRAL SMECTIC PHASES DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-04-03 US disclosed
US-4911862-A Aromatic carboxylic ester DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-03-27 US disclosed
EP-0231853-A2 Optically active carboxylic acid derivatives and liquid crystalline compositions comprising them DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-08-12 EP disclosed