SCHEMBL9720437

SCHEMBL9720437

CCN(N)CCCCCCCCCCN(N)CC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.41
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
DNM1 Q05193 3/20 0.36
CHRM2 P08172 1/20 0.35
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
MGLL Q99685 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
SCHEMBL10757071 0.91 DNM1 (0.50) ALDH1A1TSHRDNM1PLA2G1BPLA2G2A
SCHEMBL10976189 0.91 DNM1 (0.50) ALDH1A1TSHRDNM1PLA2G1BPLA2G2A
SCHEMBL27545857 0.91 DNM1 (0.50) ALDH1A1TSHRDNM1PLA2G1BPLA2G2A
SCHEMBL3519238 0.91 DNM1 (0.50) ALDH1A1TSHRDNM1PLA2G1BPLA2G2A
SCHEMBL11311844 0.91 DNM1 (0.50) ALDH1A1TSHRDNM1PLA2G1BPLA2G2A
SCHEMBL29212525 0.91 DNM1 (0.50) ALDH1A1TSHRDNM1PLA2G1BPLA2G2A
SCHEMBL28285509 0.91 DNM1 (0.50) ALDH1A1TSHRDNM1PLA2G1BPLA2G2A
SCHEMBL10756322 0.91 DNM1 (0.50) ALDH1A1TSHRDNM1PLA2G1BPLA2G2A
SCHEMBL10755363 0.91 DNM1 (0.50) ALDH1A1TSHRDNM1PLA2G1BPLA2G2A
SCHEMBL6719037 0.89 CHRM2 (0.52) AOC3ALDH1A1TSHRDNM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5115006-A Modified conjugated diene rubber with alkali or alkaline earth metals, and amine NIPPON ZEON CO., LTD. (JP) 1992-05-19 US disclosed