SCHEMBL8679255

SCHEMBL8679255

CCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCC)C(N)CC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.44
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
OPRM1 P35372 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL10810975 1.00 DNM1 (0.44) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL2933963 1.00 DNM1 (0.44) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL2361412 0.98 DNM1 (0.40) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL29767944 0.92 DNM1 (0.46) DNM1PLA2G1BPLA2G2ATSHRMEN1
SCHEMBL234773 0.90 PLA2G1B (0.35) DNM1PLA2G1BPLA2G2ATSHROPRM1
SCHEMBL15477624 0.84 PLA2G1B (0.50) DNM1PLA2G1BPLA2G2AOPRM1SPHK1
SCHEMBL6908178 0.84 PLA2G1B (0.50) DNM1PLA2G1BPLA2G2AOPRM1SPHK1
SCHEMBL27608258 0.83 PLA2G1B (0.43) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL27627430 0.83 PLA2G1B (0.43) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL432611 0.81 GPR84 (0.39) TSHRMEN1KMT2AALDH1A1

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-5766273-A DISPERSANTS BASF AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed