SCHEMBL228887

SCHEMBL228887

C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)CCCCCC(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
RIPK1 Q13546 1/20 0.35
PPARG P37231 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
FABP3 P05413 6/20 0.33
CES2 O00748 1/20 0.33

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
Tetraphenylphosphonium SCHEMBL226549 0.85 HDAC8 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3015561 0.79 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1535905 0.79 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Toluene SCHEMBL10552049 0.77 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11763634 0.77 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Isopropylbenzene SCHEMBL10770353 0.77 RIPK1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
Benzyl Alcohol SCHEMBL21838267 0.75 HDAC1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
Butadiene SCHEMBL28829640 0.75 FABP3 (0.42) HDAC3HDAC1HDAC2HDAC8FABP3
SCHEMBL887075 0.74 CA1 (0.46) HDAC3HDAC1HDAC2HDAC8FABP3
SCHEMBL3930736 0.74 CA1 (0.46) HDAC3HDAC1HDAC2HDAC8FABP3

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-8399575-B2 Crosslinkable materials based on organosilicon compounds WACKER CHEMIE AG (DE) 2013-03-19 US disclosed
US-20120004364-A1 Crosslinkable Materials Based On Organosilicon Compounds WACKER CHEMIE AG (DE) 2012-01-05 US disclosed
US-20100305263-A1 CROSS-LINKABLE MASSES COMPRISING PHOSPHORUS COMPOUNDS WACKER CHEMIE AG (DE) 2010-12-02 US disclosed
US-20090062471-A1 CROSSLINKABLE MATERIALS BASED ON ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2009-03-05 US disclosed