SCHEMBL444597

SCHEMBL444597

CC1(C)CCCC(C)(c2ccccc2)N1[O]

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HSD11B1 P28845 2/20 0.37
BACE1 P56817 1/20 0.37
AKR1C1 Q04828 1/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
OPRK1 P41145 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6317684 0.90 ALDH1A1 (0.41) ALDH1A1HSD11B1BACE1AKR1C1OPRM1
SCHEMBL440388 0.89 ALDH1A1 (0.40) ALDH1A1HSD11B1BACE1TSHROPRM1
SCHEMBL3389799 0.82 ALDH1A1 (0.43) ALDH1A1HSD11B1BACE1AKR1C1OPRM1
SCHEMBL444598 0.78 ALDH1A1 (0.38) ALDH1A1HSD11B1AKR1C1OPRM1OPRL1
SCHEMBL5466007 0.75 ALDH1A1 (0.41) ALDH1A1HSD11B1AKR1C1OPRM1OPRL1
Benzoic Acid SCHEMBL17838773 0.73 TSHR (0.50) ALDH1A1TSHR
SCHEMBL18812549 0.71 OPRM1 (0.46) OPRM1OPRL1OPRK1
SCHEMBL6492 0.70 TSHR (0.39) TSHR
SCHEMBL4296257 0.69 OPRM1 (0.44) ALDH1A1OPRM1
SCHEMBL8552014 0.69 GRIN2D (0.48) HSD11B1OPRM1

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