SCHEMBL9945781

SCHEMBL9945781

C=CCc1cc(Cc2cc(CC=C)c(O)c(Cc3cc(C)c(O)c(C)c3)c2)cc(Cc2cc(C)c(O)c(C)c2)c1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.51
DHFR P00374 1/20 0.46
GAA P10253 1/20 0.43
HMGB1 P09429 1/20 0.41
CXCL12 P48061 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.36
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL6946900 0.91 SHBG (0.61) SHBGDHFRGAAHMGB1CXCL12
SCHEMBL2754941 0.88 GAA (0.40) SHBGDHFRGAAHMGB1CXCL12
SCHEMBL2754946 0.88 GAA (0.40) SHBGDHFRGAAHMGB1CXCL12
SCHEMBL4057392 0.86 SHBG (0.67) SHBGDHFRHMGB1CXCL12PTGS1
SCHEMBL7714483 0.86 SHBG (0.67) SHBGDHFRHMGB1CXCL12PTGS1
SCHEMBL9489328 0.86 DHFR (0.48) SHBGDHFRGAAALOX5KDM4E
SCHEMBL9287678 0.84 DHFR (0.47) SHBGDHFRGAAALOX5KDM4E
SCHEMBL4056932 0.83 GABRA1 (0.49) SHBGGAAALOX5PTGS1PTGS2
SCHEMBL27771899 0.82 SHBG (0.48) SHBGGAAALOX5PTGS1PTGS2
SCHEMBL687399 0.82 SHBG (0.73) SHBGHMGB1CXCL12ALOX5PTGS1

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
US-8999621-B2 Pattern forming method, chemical amplification resist composition and resist film FUJIFILM CORPORATION (JP) 2015-04-07 US disclosed
US-20120148957-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2012-06-14 US disclosed