SCHEMBL27976138

SCHEMBL27976138

CCCCCC(N)N.CCCCCC(N)N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.63
▸ DNM1 Q05193 2/20 0.50
▸ SPHK1 Q9NYA1 2/20 0.50
▸ TP53 P04637 2/20 0.48
▸ LAP3 P28838 2/20 0.48
▸ CYP2D6 P10635 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ GMNN O75496 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CETP P11597 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL29533 1.00 — —
Hexane SCHEMBL16244743 1.00 OPRM1 (0.63) OPRM1DNM1SPHK1TP53LAP3
SCHEMBL22443839 0.97 OPRM1 (0.60) OPRM1DNM1SPHK1TP53LAP3
SCHEMBL20603567 0.97 OPRM1 (0.60) OPRM1DNM1SPHK1TP53LAP3
SCHEMBL2153831 0.97 OPRM1 (0.60) OPRM1DNM1SPHK1TP53LAP3
SCHEMBL20603555 0.97 OPRM1 (0.60) OPRM1DNM1SPHK1TP53LAP3
SCHEMBL20603553 0.97 OPRM1 (0.60) OPRM1DNM1SPHK1TP53LAP3
SCHEMBL20603562 0.97 OPRM1 (0.60) OPRM1DNM1SPHK1TP53LAP3
SCHEMBL20603558 0.97 OPRM1 (0.60) OPRM1DNM1SPHK1TP53LAP3
SCHEMBL20603566 0.97 OPRM1 (0.60) OPRM1DNM1SPHK1TP53LAP3

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
CN-104130135-A Process for producing a partially balanced acid solution INVISTA TECH SARL 2014-11-05 — — CN disclosed
CN-104130131-A Nylon salt solution production from a partially balanced acid solution INVISTA TECH SARL 2014-11-05 — — CN disclosed
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