SCHEMBL4337078

SCHEMBL4337078

COc1ccc(OC)c(-c2cccc(C)c2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
THRB P10828 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
S1PR4 O95977 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP4B1 P13584 1/20 0.46

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
SCHEMBL14118268 0.91 HDAC4 (0.57) HDAC4HDAC2HDAC8THRBCA12
SCHEMBL8817717 0.86 HDAC4 (0.59) HDAC4HDAC2HDAC8CA12CA1
SCHEMBL196223 0.81 CA12 (0.68) HDAC4HDAC2HDAC8THRBCA12
SCHEMBL16109474 0.80 HDAC4 (0.65) HDAC4HDAC2HDAC8THRBCA12
SCHEMBL26140509 0.80 APP (0.48) CA12CA1CA2CA7CA9
SCHEMBL26140506 0.79 NQO1 (0.44) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL9523263 0.75 PARP1 (0.46) CA1CA2CYP3A4MEN1KMT2A
SCHEMBL163034 0.75 CD274 (0.52) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL11281941 0.75 HTR7 (0.58) HDAC4HDAC2HDAC8CA12CA1
SCHEMBL28899580 0.75 HDAC4 (0.55) HDAC4HDAC2HDAC8CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975710-B2 POLYMER ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2009-06-10 EP disclosed
EP-0975710-B1 POLYMER ELECTROLUMINESCENT DEVICE KONINKL PHILIPS ELECTRONICS NV (NL) 2003-09-10 EP disclosed
EP-1310540-A1 Polymer electroluminescent device Koninklijke Philips Electronics N.V. (NL) 2003-05-14 EP disclosed
US-20020001732-A1 POLYMER ELECTROLUMINESCENT DEVICE U.S. PHILIPS CORPORATION 2002-01-03 US disclosed
EP-0975710-A1 POLYMER ELECTROLUMINESCENT DEVICE Koninklijke Philips Electronics N.V. (NL) 2000-02-02 EP disclosed
WO-1999021936-A1 POLYMER ELECTROLUMINESCENT DEVICE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 1999-05-06 WO disclosed