SCHEMBL12680554

SCHEMBL12680554

CCc1cc(CC)c(O)c(Cc2cc(CC)c(O)c(CC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.55
DHFR P00374 2/20 0.53
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
SHBG P04278 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
BACE1 P56817 1/20 0.37
TRPA1 O75762 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
AMY1A P0DUB6 1/20 0.35

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
SCHEMBL21734369 0.93 HSPA5 (0.62) HSPA5DHFRGABRA1GABRB2PTPN1
SCHEMBL2387607 0.93 DHFR (0.54) HSPA5DHFRGABRA1GABRB2PTPN1
SCHEMBL30003843 0.93 DHFR (0.54) HSPA5DHFRGABRA1GABRB2PTPN1
SCHEMBL581480 0.91 GABRA1 (0.52) HSPA5DHFRGABRA1GABRB2SHBG
Dimethylamine SCHEMBL10751129 0.88 HSPA5 (0.52) HSPA5DHFRGABRA1GABRB2SHBG
SCHEMBL4364941 0.88 DHFR (0.53) HSPA5DHFRGABRA1GABRB2PTPN1
SCHEMBL22408778 0.87 DHFR (0.50) HSPA5DHFRGABRA1GABRB2PTPN1
SCHEMBL30320252 0.86 ESR1 (0.52) HSPA5DHFRGABRA1GABRB2PTPN1
SCHEMBL4053628 0.86 ESR1 (0.52) HSPA5DHFRGABRA1GABRB2PTPN1
SCHEMBL3194655 0.85 SHBG (0.55) HSPA5DHFRGABRA1GABRB2SHBG

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-8273426-B1 Encapsulated compositions FRITZ INDUSTRIES, INC (US) 2012-09-25 US disclosed