SCHEMBL14829804

SCHEMBL14829804

CC(C)CCNCCCCCCCCNCCCCCCCCNCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 3/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 2/20 0.36
F13A1 P00488 2/20 0.36
CA2 P00918 2/20 0.36
ALOX15 P16050 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
THPO P40225 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CASP2 P42575 1/20 0.36
RECQL P46063 1/20 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
SCHEMBL10045165 0.97 CYP2C19 (0.46) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL23843088 0.95 LMNA (0.43) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL10045163 0.94 CYP2C19 (0.48) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL10045158 0.94 CYP2C19 (0.48) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL10045133 0.91 CYP2C19 (0.45) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL25110074 0.90 HRH4 (0.42) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL23342392 0.90 CYP2C19 (0.59) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL21018561 0.90 TSHR (0.62) TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL11175228 0.90 TSHR (0.62) TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL23945222 0.90 TSHR (0.62) TSHRALDH1A1CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760952-B1 FLEXIBLE PAVEMENT MARKINGS 3M INNOVATIVE PROPERTIES CO (US) 2018-03-21 EP disclosed
EP-2760952-A1 FLEXIBLE PAVEMENT MARKINGS 3M Innovative Properties Company (US) 2014-08-06 EP disclosed
US-20140213694-A1 Flexible Pavement Markings 3M IINOVATIVE PROPERTIES COMPANY (US) 2014-07-31 US disclosed
WO-2013049488-A1 FLEXIBLE PAVEMENT MARKINGS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-04 WO disclosed