SCHEMBL17699417

SCHEMBL17699417

CCCC(O)C(C)C(O)CCC.CCc1ccc(C(=O)O)cc1.CCc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
RARB P10826 6/20 0.49
MAPT P10636 2/20 0.46
BCL2 P10415 1/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
PLK1 P53350 1/20 0.42
ADRB1 P08588 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
SCHEMBL17699392 0.89 RARB (0.55) ALDH1A1RXRARXRBRARBMAPT
SCHEMBL17699326 0.88 ALDH1A1 (0.47) ALDH1A1RARBMAPTMEN1RARA
SCHEMBL17699433 0.87 ALDH1A1 (0.69) ALDH1A1RXRARXRBTAS1R3TAS1R1
SCHEMBL17699411 0.86 RARB (0.69) ALDH1A1RARBMAPTMEN1RARA
SCHEMBL17699466 0.86 ALDH1A1 (0.62) ALDH1A1RXRARXRBTAS1R3TAS1R1
Benzoic Acid SCHEMBL1786405 0.85 DAO (0.50) ALDH1A1RARBNPC1RAB9ASMN1; SMN2
SCHEMBL17699391 0.84 RARB (0.71) ALDH1A1RARBMAPTMEN1RARA
SCHEMBL17699445 0.83 RARB (0.53) ALDH1A1RARBMAPTMEN1RARA
SCHEMBL17699458 0.82 ALDH1A1 (0.67) ALDH1A1RXRARXRBTAS1R3TAS1R1
SCHEMBL17699399 0.81 SRD5A2 (0.56) RXRARXRBRARBMAPTMEN1

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