SCHEMBL6464710

SCHEMBL6464710

COC(=O)CCc1ccc(O)c(C(C)(C)C)c1-n1nc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.36
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
CASP3 P42574 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL14607653 0.82 KDM4E (0.44) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL14274957 0.79 KDM4E (0.39) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL135250 0.78 HDAC6 (0.38) KDM4EPOLBHPGDSMN1; SMN2NPC1
SCHEMBL7955398 0.77 S1PR1 (0.34) RPS6KB2NPC1RAB9APPARGPPARA
SCHEMBL7247782 0.77 CNR1 (0.39) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL3297999 0.76 KDM4E (0.44) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL6470277 0.76 KDM4E (0.44) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL21310184 0.74 KDM4E (0.44) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL3016143 0.73 EPHX2 (0.37) ALDH1A1TDP1
SCHEMBL27368716 0.72 KDM4E (0.46) KDM4EPOLBALDH1A1HPGDSMN1; SMN2

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-20050106491-A1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. 2005-05-19 US disclosed