SCHEMBL7078699

SCHEMBL7078699

C=CCCCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SIGMAR1 Q99720 3/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.33
SLC18A3 Q16572 1/20 0.31
EPHX1 P07099 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL28360751 0.98 CYP1A2 (0.50) CYP1A2SIGMAR1CHRNB2CHRNA7CHRNA4
SCHEMBL3944360 0.98 CYP1A2 (0.50) CYP1A2SIGMAR1CHRNB2CHRNA7CHRNA4
SCHEMBL608793 0.98 CYP1A2 (0.50) CYP1A2SIGMAR1CHRNB2CHRNA7CHRNA4
SCHEMBL3938909 0.95
SCHEMBL23121455 0.91 SIGMAR1 (0.50) CYP1A2SIGMAR1CHRNB2CHRNA7CHRNA4
SCHEMBL29222354 0.91 SIGMAR1 (0.50) CYP1A2SIGMAR1CHRNB2CHRNA7CHRNA4
SCHEMBL7398026 0.91 SIGMAR1 (0.50) CYP1A2SIGMAR1CHRNB2CHRNA7CHRNA4
SCHEMBL6318571 0.91 SIGMAR1 (0.50) CYP1A2SIGMAR1CHRNB2CHRNA7CHRNA4
SCHEMBL3940022 0.90
SCHEMBL9801592 0.89 SIGMAR1 (0.54) CYP1A2SIGMAR1TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916342-A Heavy oligomer composition of selective 1-hexene and 1-octene catalyst 切弗朗菲利浦化学公司 2024-04-19 CN claimed
CN-117916342-A Heavy oligomer composition of selective 1-hexene and 1-octene catalyst 切弗朗菲利浦化学公司 2024-04-19 CN disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
US-20030207218-A1 Silver salt photothermographic dry imaging material KONICA CORPORATION (JP) 2003-11-06 US disclosed
US-6475697-B2 MULTILAYER; SUPPORT, SILVER HALIDE EMULSION, REDUCING AGENT, SUBBING AGENT AND BINDER KONICA CORPORATION (JP) 2002-11-05 US disclosed
US-20020015925-A1 Image forming material KONICA CORPORATION (JP) 2002-02-07 US disclosed
US-20010038981-A1 Photothermographic dry imaging material easy to separate emulsion layer from support and method for separation KONICA CORPORATION (JP) 2001-11-08 US disclosed
US-4287378-A BY CATALYTIC DISPROPORTIONATION, PROPORTIONATION, OR ISOMERIZATION WHEREIN THE CATALYST IS A TRANSITION METAL OXIDE EXPOSED TO RADIATION PHILLIPS PETROLEUM COMPANY (US) 1981-09-01 US disclosed