SCHEMBL7710885

SCHEMBL7710885

Cc1cccc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.49
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
DHFR P00374 1/20 0.47
HSPA5 P11021 2/20 0.46
CA2 P00918 3/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
HIF1A Q16665 5/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 3/20 0.44
CYP1A2 P05177 3/20 0.44

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
SCHEMBL5857645 0.92 HSPA5 (0.58) SCN2AGABRA1GABRB2DHFRHSPA5
SCHEMBL28109285 0.87 DHFR (0.47) SCN2AGABRA1GABRB2DHFRHSPA5
SCHEMBL8772273 0.87 MEN1 (0.49) SCN2AGABRA1GABRB2DHFRHSPA5
SCHEMBL28384212 0.84 HSPA5 (0.53) SCN2ADHFRHSPA5CA2ALDH1A1
SCHEMBL30464059 0.84 HSPA5 (0.53) SCN2ADHFRHSPA5CA2ALDH1A1
SCHEMBL7705080 0.84 ALDH1A1 (0.43) SCN2AGABRA1GABRB2HSPA5CA2
SCHEMBL2042110 0.83 DHFR (0.49) SCN2AGABRA1GABRB2DHFRHSPA5
SCHEMBL9817051 0.83 CA2 (0.59) SCN2AGABRA1GABRB2DHFRHSPA5
SCHEMBL9298924 0.82 GABRA1 (0.70) SCN2AGABRA1GABRB2DHFRHSPA5
SCHEMBL292109 0.80 HSPA5 (0.50) SCN2ADHFRHSPA5CA2ALDH1A1

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-6365634-B1 CUMYLPHENOL; NONSTEROIDAL ANTIINFLAMMATORY AGENT; FROM PEAT BOG C-P TECHNOLOGY LIMITED PARTNERSHIP 2002-04-02 US disclosed