SCHEMBL7525632

SCHEMBL7525632

CCCCCCCCC(CO)NCC(O)CN(CC(O)CNC(CO)CCCCCCCC)CC(O)CNC(CO)CCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GPR84 Q9NQS5 4/20 0.40
CYP2D6 P10635 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
GMNN O75496 1/20 0.40
POLB P06746 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CETP P11597 1/20 0.40
HTT P42858 1/20 0.40
UBE2N P61088 1/20 0.40
ASAH1 Q13510 1/20 0.38
PLA2G1B P04054 3/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL24753529 0.82 LMNA (0.47) LMNAGPR84CYP2D6SPHK1GMNN
SCHEMBL4814498 0.81 LMNA (0.45) LMNAGPR84CYP2D6SPHK1GMNN
SCHEMBL27212653 0.79 LMNA (0.44) LMNAGPR84CYP2D6SPHK1GMNN
SCHEMBL118048 0.79 LMNA (0.44) LMNAGPR84CYP2D6SPHK1GMNN
SCHEMBL27892823 0.76 LMNA (0.52) LMNAGPR84CYP2D6SPHK1GMNN
SCHEMBL25293444 0.76 GPR84 (0.52) LMNAGPR84SPHK1PLA2G1BPLA2G2A
SCHEMBL16390557 0.74 LMNA (0.50) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL7769582 0.74 LMNA (0.45) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL21701061 0.74 LMNA (0.55) LMNAGPR84CYP2D6SPHK1GMNN
SCHEMBL5865607 0.73 LMNA (0.48) LMNACYP2D6SPHK1GMNNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770593-B1 TRIS(3-AMINOPROPYL)AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME KAO CORP (JP) 2002-04-03 EP disclosed
US-5696071-A Tris (3-aminopropyl)amine derivative and detergent composition containing the same KAO CORPORATION (JP) 1997-12-09 US disclosed
EP-0770593-A1 TRIS(3-AMINOPROPYL)AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME Kao Corporation (JP) 1997-05-02 EP disclosed