SCHEMBL9801592

SCHEMBL9801592

C=CCCCCCCCCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.39
GPR84 Q9NQS5 1/20 0.37
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4A O75164 1/20 0.37
EPHX1 P07099 1/20 0.35
ABCC4 O15439 1/20 0.34
MAPT P10636 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
SCHEMBL28815681 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2TSHRGPR84KDM5A
SCHEMBL1162323 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2TSHRGPR84KDM5A
SCHEMBL23121455 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2TSHRGPR84KDM5A
SCHEMBL29222354 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2TSHRGPR84KDM5A
SCHEMBL6318571 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2TSHRGPR84EPHX1
SCHEMBL7398026 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2TSHRGPR84EPHX1
SCHEMBL3944360 0.91 CYP1A2 (0.50) SIGMAR1CYP1A2TSHRGPR84EPHX1
SCHEMBL28360751 0.91 CYP1A2 (0.50) SIGMAR1CYP1A2TSHRGPR84EPHX1
SCHEMBL608793 0.91 CYP1A2 (0.50) SIGMAR1CYP1A2TSHRGPR84EPHX1
SCHEMBL4980410 0.89 TSHR (0.44) SIGMAR1TSHRKDM5APHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed