SCHEMBL5453451

SCHEMBL5453451

C=C(C)C(=O)OC(C)(C)c1ccccc1.Oc1ccc(C=CC=Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
CYP3A4 P08684 4/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
STAT3 P40763 1/20 0.38
HSPD1 P10809 2/20 0.38
HSPE1 P61604 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38

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
SCHEMBL5453535 0.94 TRPV1 (0.41) APPCYP3A4HDAC3HDAC4HDAC1
SCHEMBL5453739 0.94 MAPT (0.39) APPCYP3A4HDAC3HDAC4HDAC1
SCHEMBL5440577 0.89 APP (0.40) APPCYP3A4HDAC3HDAC4HDAC1
SCHEMBL1506495 0.88 APP (0.42) APPCYP3A4HDAC3HDAC4HDAC1
SCHEMBL5450238 0.84 TRPV1 (0.41) APPCYP3A4ABCG2STAT3HSPD1
Styrene SCHEMBL7711595 0.84 CYP3A4 (0.41) APPCYP3A4HDAC3HDAC4HDAC1
SCHEMBL5439130 0.83 MAPT (0.40) APPCYP3A4ABCG2STAT3HSPD1
SCHEMBL3393201 0.82 ALDH1A1 (0.48) CYP3A4HDAC3HDAC4HDAC1HDAC7
SCHEMBL2708790 0.81 ABCG2 (0.49) APPCYP3A4HDAC3HDAC4HDAC1
Ethane SCHEMBL28621749 0.81 ALDH1A1 (0.47) CYP3A4HDAC3HDAC4HDAC1HDAC7

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