SCHEMBL19933018

SCHEMBL19933018

CCCNCCCCCC(C)CCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
F13A1 P00488 2/20 0.44
CA2 P00918 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
THPO P40225 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CASP2 P42575 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.43

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
SCHEMBL18893457 0.92 TSHR (0.44) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL28166103 0.89 TSHR (0.48) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL21952707 0.86 ALDH1A1 (0.56) TSHRALDH1A1PAOX
SCHEMBL20387836 0.86 TSHR (0.44) CYP1A2MEN1CYP2C19KMT2ATSHR
SCHEMBL19631077 0.86 ALDH1A1 (0.56) TSHRALDH1A1PAOX
SCHEMBL18521762 0.86 ALDH1A1 (0.56) TSHRALDH1A1PAOX
SCHEMBL22166080 0.84 CA12 (0.59) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL9807783 0.83 RELA (0.45) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL1552856 0.82 TSHR (0.41) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL21027603 0.82 CA12 (0.52) CA12F13A1CA2CYP1A2ALOX15

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
EP-3290459-A1 POLYAMIDE RESIN, POLYAMIDE RESIN COMPOSITION CONTAINING SAME, PREPARATION METHOD THEREFOR, AND MOLDED PRODUCT INCLUDING SAME Lotte Advanced Materials Co., Ltd. (KR) 2018-03-07 EP disclosed