SCHEMBL8470973

SCHEMBL8470973

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
GRIK1 P39086 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CLCN2 P51788 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SLC16A3 O15427 2/20 0.39
BRD4 O60885 3/20 0.39
CXCR5 P32302 1/20 0.39
PTGES O14684 1/20 0.39
ALOX15 P16050 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL8470980 1.00 FOLH1 (0.50) FOLH1GRIK1CYP2C9ALDH1A1CLCN2
SCHEMBL8447505 0.98 FOLH1 (0.49) FOLH1GRIK1CYP2C9ALDH1A1CLCN2
SCHEMBL7737160 0.86 MRGPRX4 (0.41) FOLH1CYP2C9ALDH1A1CLCN2LMNA
SCHEMBL7737157 0.86 MRGPRX4 (0.41) FOLH1CYP2C9ALDH1A1CLCN2LMNA
SCHEMBL19348159 0.86 FOLH1 (0.59) FOLH1GRIK1ALDH1A1TSHRPTGES
SCHEMBL27983622 0.82 SCN1A (0.53) FOLH1ALDH1A1HTR2AHTR2C
SCHEMBL8727361 0.81 FOLH1 (0.46) FOLH1GRIK1ALDH1A1MAPTTSHR
SCHEMBL8727358 0.81 FOLH1 (0.46) FOLH1GRIK1ALDH1A1MAPTTSHR
SCHEMBL2770919 0.79 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTALOX15
SCHEMBL2770917 0.79 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
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