SCHEMBL9435111

SCHEMBL9435111

CCC(C)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.56
GRIA2 P42262 1/20 0.56
GRIA3 P42263 1/20 0.56
GRIA4 P48058 1/20 0.56
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KIF11 P52732 2/20 0.46
MMP3 P08254 4/20 0.45
CYP2A6 P11509 2/20 0.45
MMP2 P08253 4/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8737419 0.94 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL26205757 0.94 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL2758516 0.94 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL14118345 0.89 MMP2 (0.49) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL10018734 0.85 GRIA2 (0.54) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL25985067 0.85 GRIA2 (0.54) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL12656437 0.84 GRIA2 (0.50) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL9339775 0.83 ALDH1A1 (0.47) GRIA4TSHRHSD17B10ALDH1A1HPGD
SCHEMBL11527149 0.80 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL11527145 0.80 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100086704-A1 CHOLESTERIC GLASSY LIQUID CRYSTALS WITH HYBRID CHIRAL-NEMATIC MESOGENS THE UNIVERSITY OF ROCHESTER 2010-04-08 US disclosed
US-7545557-B2 Color display device XEROX CORPORATION (US) 2009-06-09 US disclosed
US-20080100906-A1 COLOR DISPLAY DEVICE XEROX CORPORATION (US) 2008-05-01 US disclosed
US-5279762-A High speed switching MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
EP-0220296-B1 SMECTIC LIQUID CRYSTALLINE PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed
US-5064566-A Chirally tilted, pyrimidines, pyridines, or pyrazines, stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-12 US disclosed
EP-0220296-A1 SMECTIC LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-05-06 EP disclosed
WO-1986006401-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed