SCHEMBL3834384

SCHEMBL3834384

CCC(C)C(N)CCCCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 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
SCHEMBL27726429 1.00 DNM1 (0.40) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL18733092 0.98 OPRM1 (0.37) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28220782 0.91 OPRM1 (0.42) ALDH1A1TRPV1TRPA1SPHK1
SCHEMBL10356908 0.91 OPRM1 (0.42) ALDH1A1TRPV1TRPA1SPHK1
SCHEMBL27945762 0.88 OPRM1 (0.43) ALDH1A1TRPV1TRPA1SPHK1
SCHEMBL29230040 0.84 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL31131332 0.84 OPRM1 (0.54) SPHK1
SCHEMBL6897233 0.84 OPRM1 (0.54) SPHK1
SCHEMBL11870499 0.84 OPRM1 (0.54) SPHK1
SCHEMBL24333927 0.81 DNM1 (0.43) DNM1MEN1KMT2AALDH1A1TSHR

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
CN-105384898-B Waterborne polyurethane resin and preparation method thereof, cowboy's slurry 江门市珍图新材料有限公司 2018-05-29 CN disclosed
EP-2102265-A1 FORMULATIONS FOR REACTION INJECTION MOLDING AND FOR SPRAY SYSTEMS Albermarle Corporation (US) 2009-09-23 EP disclosed
WO-2008086437-A1 FORMULATIONS FOR REACTION INJECTION MOLDING AND FOR SPRAY SYSTEMS ALBEMARLE CORPORATION (US) 2008-07-17 WO disclosed