SCHEMBL221394

SCHEMBL221394

C=C(C)C(=O)NCc1ccc(NCCCCCCCCCCCCCCCCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
HDAC11 Q96DB2 1/20 0.45
EPHX2 P34913 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 3/20 0.42
CNR1 P21554 1/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR2 O95136 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL219072 1.00 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8THRA
SCHEMBL4971236 0.82 EPHX2 (0.57) HDAC3EPHX2HPGDCNR1
SCHEMBL1263550 0.81 ZDHHC20 (0.56) HDAC3HDAC1HDAC2HDAC8THRA
SCHEMBL1263152 0.81 ZDHHC20 (0.56) HDAC3HDAC1HDAC2HDAC8THRA
SCHEMBL22483794 0.80 TP53 (0.38) HPGD
SCHEMBL731190 0.79 KMT2A (0.50) HDAC1
SCHEMBL16622755 0.76 TP53 (0.44) HDAC1EPHX2HPGD
SCHEMBL11074381 0.75 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL22664689 0.75 ALDH1A1 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL11226388 0.74 S1PR1 (0.59) HPGDS1PR1S1PR3S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10222721-B2 Urethane foam and toner-conveying roller using the same BRIDGESTONE CORPORATION (JP) 2019-03-05 US disclosed
US-9316958-B2 Charge-controlled polyurethane foam and toner-conveying roller using the same BRIDGESTONE CORPORATION (JP) 2016-04-19 US disclosed
US-8088876-B2 Copolymer, resin for electrophotographic functional component parts, developing roller, and electrophotographic apparatus CANON KASEI KABUSHIKI KAISHA (JP) 2012-01-03 US disclosed
US-20110188900-A1 URETHANE FOAM AND TONER-CONVEYING ROLLER USING THE SAME BRIDGESTONE CORPORATION (JP) 2011-08-04 US disclosed
US-20110177926-A1 CHARGE-CONTROLLED POLYURETHANE FOAM AND TONER-CONVEYING ROLLER USING THE SAME BRIDGESTONE CORPORATION (JP) 2011-07-21 US disclosed