SCHEMBL6283904

SCHEMBL6283904

COc1ccc(/C=C/C(=O)C(C#N)C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F3 P13726 3/20 0.60
▸ THRB P10828 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ GSK3B P49841 2/20 0.57
▸ HDAC3 O15379 2/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ BACE1 P56817 1/20 0.53
▸ TAS1R3 Q7RTX0 2/20 0.51
▸ TAS1R1 Q7RTX1 2/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51

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
SCHEMBL21356927 0.80 F3 (0.68) F3THRBATMGSK3BHDAC3
SCHEMBL3506403 0.80 F3 (0.68) F3THRBATMGSK3BHDAC3
SCHEMBL21356925 0.80 F3 (0.68) F3THRBATMGSK3BHDAC3
SCHEMBL10843269 0.80 F3 (0.68) F3THRBATMGSK3BHDAC3
SCHEMBL10843273 0.80 F3 (0.68) F3THRBATMGSK3BHDAC3
SCHEMBL10921920 0.79 F3 (0.66) F3THRBATMGSK3BHDAC3
SCHEMBL10921923 0.79 F3 (0.66) F3THRBATMGSK3BHDAC3
SCHEMBL6278920 0.78 MAPT (0.53) F3HDAC3HDAC1HDAC2HDAC8
4-Methoxycinnamic Acid SCHEMBL5277771 0.76 THRB (0.81) F3THRBATMGSK3BHDAC3
SCHEMBL1478808 0.76 F3 (0.62) F3THRBATMGSK3BHDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38761-E1 Styryl compounds which inhibit EGF receptor protein tyrosine kinase YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-07-19 — — US disclosed
US-5217999-A Antigrowth agents YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1993-06-08 — — US disclosed
WO-1991016892-A1 STYRYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR PROTEIN TYROSINE KINASE RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-11-14 — — WO disclosed
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