SCHEMBL8995510

SCHEMBL8995510

CCCC1C(C)=C(C)CCC1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.32
NOS1 P29475 3/20 0.32
NOS2 P35228 3/20 0.32

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
SCHEMBL28035312 0.72 AKR1C4 (0.37) NOS3NOS1NOS2
SCHEMBL4442495 0.67
SCHEMBL28127775 0.64 CYP1A2 (0.36) NOS3NOS1NOS2
SCHEMBL340036 0.63 NOS3 (0.37) NOS3NOS1NOS2
SCHEMBL339076 0.63 NOS3 (0.37) NOS3NOS1NOS2
SCHEMBL159498 0.61
SCHEMBL1614409 0.61 HTT (0.40) NOS3NOS1NOS2
SCHEMBL8965187 0.60 CYP1A2 (0.43) NOS3NOS1NOS2
SCHEMBL8964734 0.60 CYP1A2 (0.43) NOS3NOS1NOS2
SCHEMBL158776 0.60 CYP1A2 (0.43) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516960-A Process for producing hydrocarbon fuels BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-05-14 US disclosed
WO-1996004224-A1 PROCESS FOR PRODUCING HYDROCARBON FUELS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-02-15 WO disclosed