SCHEMBL8021136

SCHEMBL8021136

C=CCCCCCCCCC(C)N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
OPRM1 P35372 1/20 0.48
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.36
TRPA1 O75762 2/20 0.36
TRPV1 Q8NER1 2/20 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
SCHEMBL9206093 1.00 TSHR (0.48) TSHROPRM1ALDH1A1TDP1TP53
SCHEMBL8029148 1.00 TSHR (0.48) TSHROPRM1ALDH1A1TDP1TP53
SCHEMBL9213955 1.00 TSHR (0.48) TSHROPRM1ALDH1A1TDP1TP53
SCHEMBL21366438 0.98
SCHEMBL12324864 0.98
SCHEMBL14067036 0.90
SCHEMBL2839545 0.90
SCHEMBL23234380 0.80 TSHR (0.46) TSHRALDH1A1TDP1MAPTUSP2
SCHEMBL2998034 0.80 TSHR (0.52) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL2936701 0.80 TSHR (0.52) TSHRALDH1A1MAPTUSP2CYP3A4

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
WO-2000069921-A1 AMINE-FUNCTIONALISED COPOLYMERS AND METHODS FOR THEIR PREPARATION BP CHEMICALS LIMITED (GB) 2000-11-23 WO disclosed