SCHEMBL21307635

SCHEMBL21307635

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.58
HMGB1 P09429 1/20 0.46
CXCL12 P48061 1/20 0.46
HSPA5 P11021 2/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
DHFR P00374 2/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL69627 0.89 SHBG (0.70) SHBGHMGB1CXCL12HSPA5ALOX5
SCHEMBL31092543 0.87 SHBG (0.55) SHBGHMGB1CXCL12HSPA5ALOX5
SCHEMBL1022721 0.87 SHBG (0.55) SHBGHMGB1CXCL12HSPA5ALOX5
SCHEMBL14447167 0.84 SHBG (0.55) SHBGHMGB1CXCL12HSPA5DHFR
SCHEMBL20102186 0.84 SHBG (0.55) SHBGHMGB1CXCL12HSPA5DHFR
SCHEMBL7591262 0.84 SHBG (0.53) SHBGHMGB1CXCL12HSPA5ALOX5
SCHEMBL30003742 0.84 SHBG (0.63) SHBGHMGB1CXCL12HSPA5ALOX5
SCHEMBL2384360 0.84 SHBG (0.63) SHBGHMGB1CXCL12HSPA5ALOX5
SCHEMBL15830868 0.83 SHBG (0.53) SHBGHMGB1CXCL12HSPA5ALOX5
SCHEMBL10024009 0.83 SHBG (0.58) SHBGHMGB1CXCL12HSPA5ALOX5

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-10920017-B2 Polyimide resin and resin composition KANEKA CORPORATION (JP) 2021-02-16 US disclosed
US-20190263968-A1 POLYIMIDE RESIN AND RESIN COMPOSITION KANEKA CORPORATION (JP) 2019-08-29 US disclosed