SCHEMBL8727358

SCHEMBL8727358

C=CC[C@H]1CC[C@H](CCc2ccccc2C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
GRIK1 P39086 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.37
PTGES O14684 2/20 0.37
CXCR5 P32302 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ALOX15 P16050 1/20 0.35
SLC16A3 O15427 2/20 0.34
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
BRD4 O60885 1/20 0.34
BRS3 P32247 1/20 0.34

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
SCHEMBL8727361 1.00 FOLH1 (0.46) FOLH1KMT2AMAPTGRIK1ALDH1A1
SCHEMBL19348159 0.82 FOLH1 (0.59) FOLH1KMT2AGRIK1ALDH1A1TSHR
SCHEMBL8470973 0.81 FOLH1 (0.50) FOLH1MAPTGRIK1ALDH1A1TSHR
SCHEMBL8470980 0.81 FOLH1 (0.50) FOLH1MAPTGRIK1ALDH1A1TSHR
SCHEMBL8447505 0.80 FOLH1 (0.49) FOLH1MAPTGRIK1ALDH1A1TSHR
SCHEMBL28421017 0.77 GAA (0.40) KMT2AALDH1A1ALOX15
SCHEMBL9854913 0.77 GAA (0.40) KMT2AALDH1A1ALOX15
SCHEMBL27983622 0.76 SCN1A (0.53) FOLH1ALDH1A1HTR2AHTR2C
SCHEMBL11133994 0.76 GAA (0.39) KMT2AALDH1A1ALOX15
SCHEMBL10360250 0.76 MAOA (0.46)

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
US-5792386-A A MIXTURE OF ALKYLCYCLOHEXYL(PHENYLENE)DIFLUROMETHOXY-BENZENES AND FLUORO-CONTAINING COMPOUNDS; LOW VISCOSITY; LOW TEMPERATURE MISCIBILITY; HEAT AND CHEMICAL RESISTANCE; ACTIVE MATRIX CHISSO CORPORATION (JP) 1998-08-11 US disclosed
US-5728319-A Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 1998-03-17 US disclosed