SCHEMBL528811

SCHEMBL528811

CCCc1ccccc1-c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
PTGER1 P34995 3/20 0.47
PTGER4 P35408 3/20 0.47
PTGER3 P43115 3/20 0.47
PTGER2 P43116 3/20 0.47
HSD17B1 P14061 6/20 0.44
HSD17B2 P37059 6/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
SREBF2 Q12772 1/20 0.42
ADRA2C P18825 1/20 0.42
ALOX5 P09917 1/20 0.41
PTPN5 P54829 1/20 0.40
PPARA Q07869 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 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
SCHEMBL28517648 0.86 HSD17B1 (0.46) HSD17B1HSD17B2CYP3A4CYP2C9SREBF2
Phenol SCHEMBL11781187 0.86 PPARA (0.48) PTGER1PTGER4PTGER3PTGER2PPARA
SCHEMBL18687702 0.84 HSD17B1 (0.52) PTGER1PTGER4PTGER3PTGER2HSD17B1
SCHEMBL7710601 0.83 ADRA2C (0.60) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL5274698 0.82 HSD17B1 (0.47) HSD17B1HSD17B2CYP3A4CYP2C9SREBF2
SCHEMBL6048555 0.82 SRC (0.52) ABCB1PTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL7710788 0.81 ADRA2C (0.59) ABCB1PTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL6048546 0.81 SRC (0.51) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL15238829 0.81 HTR7 (0.50) PTGER1PTGER4PTGER3PTGER2ADRA2C
SCHEMBL26545737 0.81 FFAR1 (0.47) PTGER1PTGER4PTGER3PTGER2ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598480-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS Oryzon Genomics, S.A. (ES) 2013-06-05 EP disclosed
WO-2012013727-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS S.A. (ES) 2012-02-02 WO disclosed