SCHEMBL7940908

SCHEMBL7940908

CCN(CC)CCC(CC(CCN(CC)CC)N(CC)CC)N(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
PLA2G1B P04054 1/20 0.30
PLA2G2A P14555 1/20 0.30

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
SCHEMBL4078264 0.81 PLA2G1B (0.32) SIGMAR1PLA2G1BPLA2G2A
SCHEMBL234628 0.72 SIGMAR1 (0.33) SIGMAR1PLA2G1BPLA2G2A
SCHEMBL9714725 0.70 SIGMAR1 (0.32) SIGMAR1PLA2G1BPLA2G2A
SCHEMBL24693244 0.70 SIGMAR1 (0.32) SIGMAR1PLA2G1BPLA2G2A
SCHEMBL6544599 0.68 SIGMAR1 (0.31) SIGMAR1
SCHEMBL31549962 0.67 SIGMAR1 (0.35) SIGMAR1PLA2G1BPLA2G2A
SCHEMBL436979 0.67 PLA2G1B (0.39) SIGMAR1PLA2G1BPLA2G2A
SCHEMBL10369885 0.67
Bromide SCHEMBL10372800 0.65
SCHEMBL7379244 0.65 PLA2G1B (0.43) SIGMAR1PLA2G1BPLA2G2A

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-6245234-B1 REACTION PRODUCT OF POLYFUNCTIONAL AMINE AND A REACTION PRODUCT OF A POLYFUNCTIONAL TERTIARY AMINE AND AN ACID, AND AN ORGANIC SOLVENT SOLUTION OF AMINE-REACTIVE REACTANT CONSISTING OF A POLYFUNCTIONAL ACYL HALIDE, SULFONYL HALIDE OR SAEHAN INDUSTRIES INCORPORATION (KR) 2001-06-12 US disclosed