SCHEMBL9133484

SCHEMBL9133484

CCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1cc(C(C)C)c(C)c(c1OCCC)Cc1cc(C(C)(C)C)cc(c1O)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.44
PTPN2 P17706 4/20 0.44
PTPN1 P18031 4/20 0.44
PTPRB P23467 4/20 0.44
PTPN11 Q06124 4/20 0.44
TLR4 O00206 4/20 0.41
CD14 P08571 4/20 0.41
LY96 Q9Y6Y9 4/20 0.41
ELANE P08246 1/20 0.41
CD69 Q07108 1/20 0.41
GSTA1 P08263 6/20 0.39
GSTP1 P09211 6/20 0.39
CYP19A1 P11511 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL9133022 0.94 TLR4 (0.43) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL14617494 0.83 PTPRC (0.57) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL9132993 0.81 ELANE (0.33) ELANECD69
SCHEMBL14617492 0.77 TLR4 (0.57) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL13987040 0.77 ELANE (0.58) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL14617493 0.71 ELANE (0.53) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL13987036 0.71 GSTA1 (0.52) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL14159148 0.71 PTPRC (0.43) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL30388098 0.70 ELANE (0.51) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL16545623 0.69 CD69 (0.65) PTPRCPTPN2PTPN1PTPRBPTPN11

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-5412114-A Etherification, optical resolution, steric hindrance DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-02 US disclosed
US-5231196-A Optic separation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-27 US disclosed