SCHEMBL10399362

SCHEMBL10399362

C=CCNCC1CCC(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
SAT1 P21673 1/20 0.35
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2712275 0.89
SCHEMBL17291834 0.89 KMT2A (0.41) KMT2ASAT1ALDH1A1NPSR1TDP1
SCHEMBL10475292 0.80 ADH1B (0.46) KMT2AALDH1A1NPSR1
SCHEMBL20030789 0.79 KMT2A (0.32) KMT2ASAT1ALDH1A1NPSR1
SCHEMBL5545183 0.78 ADH1B (0.50) KMT2AALDH1A1NPSR1
SCHEMBL681089 0.76 KMT2A (0.41) KMT2AALDH1A1NPSR1TDP1
SCHEMBL681090 0.76 KMT2A (0.41) KMT2AALDH1A1NPSR1TDP1
SCHEMBL3259366 0.75 GNAI3 (0.44) KMT2A
SCHEMBL21744423 0.75 MAPT (0.38) KMT2AALDH1A1
SCHEMBL3417168 0.75 KMT2A (0.35) KMT2AALDH1A1

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