SCHEMBL8364280

SCHEMBL8364280

CC(C)Cc1ccc(Oc2ccc(CNNC(N)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
CARM1 Q86X55 2/20 0.42
PRMT6 Q96LA8 2/20 0.42
ALOX5 P09917 2/20 0.41
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CHRM1 P11229 1/20 0.40
PDE4A P27815 1/20 0.40
ACACB O00763 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
ESR1 P03372 1/20 0.40
RARB P10826 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL4992970 0.84 PARP10 (0.51) CARM1PRMT6
SCHEMBL4994474 0.84 MAPK14 (0.52) EPHX2LMNAAKR1C3
SCHEMBL5010338 0.82 NPC1 (0.47) CARM1PRMT6EPHX2PPARGPPARA
SCHEMBL4985848 0.82 OPRM1 (0.51) LMNA
SCHEMBL4995830 0.81 ACACB (0.47) ACACB
SCHEMBL4989136 0.81 CYP3A4 (0.48) EPHX2LMNA
SCHEMBL7457448 0.81 SRD5A2 (0.47) PPARA
SCHEMBL4995481 0.81 CYP2C9 (0.56) CARM1PRMT6EPHX2PPARGPPARA
SCHEMBL4994663 0.80 ESRRG (0.56) EPHX2
SCHEMBL5010339 0.79 S1PR1 (0.44) LMNA

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
WO-1999039712-A9 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF COCENSYS INC (US) 1999-10-21 WO disclosed