SCHEMBL3285883

SCHEMBL3285883

CCCc1cc(C(C)c2cc(CCC)c(O)c(CCC)c2)cc(CCC)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.38
DHFR P00374 2/20 0.36
PRKCI P41743 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
ESR1 P03372 1/20 0.34
PDCD1 Q15116 1/20 0.34
ESR2 Q92731 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
ALOX5 P09917 5/20 0.33
MAOA P21397 1/20 0.33
PTGS2 P35354 3/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL3286364 0.82 GABRA1 (0.46) DHFRESR1PDCD1ESR2CD274
SCHEMBL3286844 0.81 PTPN1 (0.38) HMGCRDHFRPRKCIPTPN1PTPN11
SCHEMBL3287169 0.78 ALOX5 (0.47) HMGCRPRKCIESR1PDCD1ESR2
SCHEMBL3823378 0.77 TYR (0.40) ESR1ALOX5MAOAPTGS2ALOX15
SCHEMBL8609407 0.77 TYR (0.40) ESR1ESR2GABRA1GABRB2ALOX5
SCHEMBL8975468 0.77 ALOX5 (0.44) HMGCRDHFRPRKCIPTPN1PTPN11
SCHEMBL1760574 0.77 PTPN1 (0.53) HMGCRDHFRPRKCIPTPN1PTPN11
SCHEMBL14135764 0.75 ALDH1A1 (0.38) PTPN1PTPN11GABRA1GABRB2ALOX12
SCHEMBL8772337 0.75 ALOX5 (0.45) ESR1ALOX5PTGS2ALOX15
SCHEMBL1021760 0.75 AMY1A (0.47) HMGCRDHFRPRKCIPTPN1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718337-B2 Electrophotographic photoreceptor MITSUBISHI CHEMICAL CORPORATION (JP) 2010-05-18 US disclosed
US-20090081570-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-26 US disclosed
US-7473507-B2 Electrophotographic photoreceptor with polyester resin in photosensitive layer MITSUBISHI CHEMICAL CORPORATION (JP) 2009-01-06 US disclosed
US-20060073400-A1 Electrophotographic photoreceptor MITSUBISHI CHEMICAL CORPORATION (JP) 2006-04-06 US disclosed