SCHEMBL5440495

SCHEMBL5440495

C=CC(=O)OC12CC3CC(CC(C3)C1)C2.CC(C)Cc1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 5/20 0.36
MIF P14174 1/20 0.35
CA12 O43570 2/20 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
SCHEMBL5449150 0.89 ESR1 (0.39) KMT2ANPSR1HDAC6HDAC3HDAC1
SCHEMBL5437125 0.87 KMT2A (0.43) KMT2ANPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL5450986 0.87 THRB (0.46) KMT2ANPSR1HDAC6HDAC3HDAC1
SCHEMBL5455488 0.86 CYP17A1 (0.37) KMT2ASMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL5449120 0.86 MAPT (0.40) KMT2ANPSR1RAB9AHDAC6HDAC1
SCHEMBL5447304 0.85 THRB (0.45) KMT2AMEN1ALDH1A1ESR1CA12
SCHEMBL5446077 0.85 ESR1 (0.36) KMT2ANPSR1HDAC6HDAC1HDAC8
SCHEMBL5435451 0.84 AKR1B10 (0.38) KMT2ARAB9AMEN1ALDH1A1ESR1
SCHEMBL5446080 0.82 CYP1A2 (0.37) KMT2ASMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4875767 0.82 ESR1 (0.36) KMT2ANPSR1HDAC6HDAC1HDAC8

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