SCHEMBL14299263

SCHEMBL14299263

CCC[C@@H](C)CCCCCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MCHR1 Q99705 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
PLA2G2C Q5R387 1/20 0.44
KMT2A Q03164 6/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL19446139 0.84 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL8778737 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL9099326 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL9101231 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL9099947 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL9103003 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL8778795 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL8340902 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL8778706 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL8667031 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1

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-20120321265-A1 OPTICAL FIBER WITH DOUBLE COATING PRYSMIAN S.P.A. (IT) 2012-12-20 US disclosed