SCHEMBL7795416

SCHEMBL7795416

CCCCCC[C@@H](F)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
PLA2G2C Q5R387 1/20 0.42
NR1I2 O75469 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
ADAM17 P78536 2/20 0.36
CYP2C9 P11712 2/20 0.36
MMP1 P03956 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
AGER Q15109 1/20 0.36
LMNA P02545 2/20 0.35
ALB P02768 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7790993 1.00 MCHR1 (0.43) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL7790998 1.00 MCHR1 (0.43) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL6973601 1.00 MCHR1 (0.43) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL7778050 1.00 MCHR1 (0.43) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL6973603 1.00 MCHR1 (0.43) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL8162443 0.99 MCHR1 (0.40) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL8162440 0.99 MCHR1 (0.40) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL8162442 0.99 MCHR1 (0.40) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL8405747 0.89 MCHR1 (0.43) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL8405754 0.89 MCHR1 (0.43) MCHR1PLA2G2CNR1I2CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821050-B1 Optically active compound and antiferroelectric liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-11-28 EP disclosed
US-5820782-A LOW THRESHOLD VOLTAGE AND LOW VISCOSITY; PYRIMIDINE-BASED COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-13 US disclosed
EP-0821050-A1 Optically active compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1998-01-28 EP disclosed
US-5545747-A STABLE FERROELECTRIC LIQUID CRYSTALLINE COMPOUNDS KANTO KAGAKU KABUSHIKI KAISHA (JP) 1996-08-13 US disclosed
US-5232624-A Components of tilted smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0496896-A1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 1992-08-05 EP disclosed