SCHEMBL5455488

SCHEMBL5455488

C=CC(=O)OC12CC3CC(CC(C3)C1)C2.CC(C)c1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR1 P03372 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESRRG P62508 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 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
SCHEMBL5446077 0.90 ESR1 (0.36) CYP17A1CYP19A1CA12CA1CA2
SCHEMBL5449120 0.89 MAPT (0.40) CA12CA1CA2CA7CA9
SCHEMBL5435451 0.86 AKR1B10 (0.38) CYP19A1CA12CA7CA9CA14
SCHEMBL5440495 0.86 KMT2A (0.41) CYP17A1CYP19A1CA12CA1CA2
SCHEMBL5443938 0.86 CYP17A1 (0.36) CYP17A1CYP19A1CA12CA1CA2
SCHEMBL5449150 0.85 ESR1 (0.39) CYP17A1CYP19A1CA12CA1CA2
SCHEMBL5446080 0.85 CYP1A2 (0.37) CYP17A1CYP19A1CA12CA1CA2
SCHEMBL5447290 0.83 MMP1 (0.38) ESR1RAB9ASMN1; SMN2HDAC1HDAC7
SCHEMBL3841430 0.83 MAPT (0.38) CYP17A1CYP19A1CA12CA1CA2
SCHEMBL5450986 0.83 THRB (0.46) CYP19A1CA12CA1CA2CA7

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-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-6949329-B2 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-09-27 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 US disclosed
US-20030017425-A1 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2003-01-23 US disclosed