SCHEMBL15902303

SCHEMBL15902303

CC(C)CCCNCCNCCNCCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TSHR P16473 4/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP2 P42575 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
CYP1A2 P05177 3/20 0.36
CA12 O43570 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA6 P23280 4/20 0.35
CA5A P35218 4/20 0.35
CA7 P43166 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
CA5B Q9Y2D0 4/20 0.35
CA3 P07451 3/20 0.35
ALOX15 P16050 3/20 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
SCHEMBL7795109 1.00 LMNA (0.43) LMNATSHRCYP2C19ALDH1A1CASP2
SCHEMBL277921 0.97 LMNA (0.45) LMNATSHRCYP2C19ALDH1A1CASP2
SCHEMBL9768597 0.94 CYP2C19 (0.45) LMNATSHRCYP2C19ALDH1A1CASP2
SCHEMBL6236984 0.91 TSHR (0.43) LMNATSHRCYP2C19ALDH1A1CASP2
SCHEMBL3692044 0.91 TSHR (0.43) LMNATSHRCYP2C19ALDH1A1CASP2
SCHEMBL12976419 0.91 LMNA (0.41) LMNATSHRCYP2C19ALDH1A1CASP2
Propane SCHEMBL11299063 0.91 CYP2C19 (0.43) LMNATSHRCYP2C19ALDH1A1CASP2
SCHEMBL23542907 0.89 KISS1R (0.39) LMNATSHRCYP2C19ALDH1A1CASP2
SCHEMBL21107598 0.88 LMNA (0.46) LMNATSHRCYP2C19ALDH1A1CASP2
SCHEMBL518298 0.88 LMNA (0.50) LMNATSHRCYP2C19ALDH1A1CASP2

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-20140213694-A1 Flexible Pavement Markings 3M IINOVATIVE PROPERTIES COMPANY (US) 2014-07-31 US disclosed