SCHEMBL17699366

SCHEMBL17699366

CC(C)(C)c1ccc(C(=O)O)cc1.CC(C)(C)c1ccc(C(=O)O)cc1.CCCC(O)C(C)(C)C(O)CCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.57
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
NR1H4 Q96RI1 4/20 0.50
EPHX2 P34913 3/20 0.50
RXRA P19793 3/20 0.49
RXRB P28702 3/20 0.49
NR4A2 P43354 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RXRG P48443 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL17699351 0.97 SRD5A2 (0.54) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL17699388 0.89 SRD5A2 (0.62) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL17699476 0.85 SRD5A2 (0.51) SRD5A2RARBRARGNR1H4EPHX2
Benzoic Acid SCHEMBL1786954 0.85 DAO (0.48) SRD5A2TDP1KMT2A
Benzoic Acid SCHEMBL1784704 0.84 TSHR (0.44) SRD5A2RARBRXRARXRBRXRG
SCHEMBL17699406 0.84 SRD5A2 (0.57) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL17699452 0.84 SRD5A2 (0.50) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL17699372 0.84 SRD5A2 (0.50) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL17699354 0.83 SRD5A2 (0.56) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL17699399 0.83 SRD5A2 (0.56) SRD5A2RARBRARGNR1H4EPHX2

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-9751960-B2 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2017-09-05 US claimed
US-20160115257-A1 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-04-28 US claimed
US-9751960-B2 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2017-09-05 US disclosed
US-20160115257-A1 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-04-28 US disclosed