SCHEMBL444598

SCHEMBL444598

CC1(C)CCCC(C)(c2ccccc2)N1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
AKR1C1 Q04828 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRL1 P41146 2/20 0.35
OPRK1 P41145 1/20 0.35
HSD11B1 P28845 2/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CYP2B6 P20813 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
PRCP P42785 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL5466007 0.90 ALDH1A1 (0.41) ALDH1A1AKR1C1OPRM1OPRL1OPRK1
SCHEMBL440389 0.89 ALDH1A1 (0.40) ALDH1A1AKR1C1OPRM1OPRL1OPRK1
SCHEMBL3389800 0.82 ALDH1A1 (0.43) ALDH1A1AKR1C1OPRM1OPRL1OPRK1
SCHEMBL444597 0.78 ALDH1A1 (0.38) ALDH1A1AKR1C1OPRM1OPRL1OPRK1
SCHEMBL6317684 0.75 ALDH1A1 (0.41) ALDH1A1AKR1C1OPRM1OPRL1OPRK1
Benzoic Acid SCHEMBL28798182 0.73 TSHR (0.50) ALDH1A1
SCHEMBL18812549 0.71 OPRM1 (0.46) OPRM1OPRL1OPRK1GRIN2DGRIN3B
SCHEMBL5346 0.70 TSHR (0.39) ALDH1A1
SCHEMBL703625 0.70 TSHR (0.39) ALDH1A1
SCHEMBL27498327 0.70 TSHR (0.39) ALDH1A1

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
US-8309658-B2 Adhesive composition, circuit connecting material, connecting structure for circuit member, and semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-11-13 US disclosed
US-8138268-B2 Adhesive composition, circuit connecting material, connecting structure for circuit member, and semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-03-20 US disclosed
US-20120063109-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE RESONAC CORPORATION (JP) 2012-03-15 US disclosed
US-20110176288-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE HITACHI CHEMICAL COMPANY LTD. (JP) 2011-07-21 US disclosed
EP-2246400-A1 Circuit connecting material Hitachi Chemical Co., Ltd. (JP) 2010-11-03 EP disclosed
EP-1754762-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE Hitachi Chemical Co., Ltd. (JP) 2007-02-21 EP disclosed