SCHEMBL10399360

SCHEMBL10399360

C=CCNC1CCC(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
EPHX1 P07099 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ADRA2A P08913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RIPK2 O43353 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL7735833 0.88 KMT2A (0.39) ALDH1A1KMT2ADPP7SIGMAR1RIPK2
SCHEMBL530785 0.88
SCHEMBL818299 0.78
SCHEMBL538845 0.78
SCHEMBL5863700 0.77 EPHX2 (0.38) ALDH1A1KMT2ADPP7SIGMAR1OPRM1
SCHEMBL20651185 0.77 KMT2A (0.42) KMT2ANPSR1DPP7SIGMAR1
SCHEMBL368439 0.77 HTR1A (0.35) KMT2ADPP7SIGMAR1
SCHEMBL5863695 0.77 EPHX2 (0.38) ALDH1A1KMT2ADPP7SIGMAR1OPRM1
SCHEMBL4900932 0.77 KMT2A (0.33) KMT2ADPP7SIGMAR1RIPK2
SCHEMBL20870846 0.77 RIPK2 (0.33) ALDH1A1KMT2ANPSR1RIPK2

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
US-4892918-A TOUGHENING THERMOSETTING MATRIX RESINS BASF CORPORATION (US) 1990-01-09 US disclosed
US-4847154-A Thermosetting resin systems containing secondary amine-terminated siloxane modifiers BASF CORPORATION (US) 1989-07-11 US disclosed
EP-0312771-A1 Thermosetting resin systems containing secondary amine-terminated siloxane modifiers BASF Aktiengesellschaft (DE) 1989-04-26 EP disclosed