SCHEMBL17699433

SCHEMBL17699433

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
RXRA P19793 3/20 0.53
RXRB P28702 3/20 0.53
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCL2 P10415 1/20 0.45
PLK1 P53350 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
RARB P10826 6/20 0.44
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MEN1 O00255 1/20 0.41
RARA P10276 1/20 0.41
MTOR P42345 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 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
SCHEMBL17699379 0.93 ALDH1A1 (0.65) ALDH1A1RXRARXRBMAPTNPC1
SCHEMBL17699417 0.87 ALDH1A1 (0.65) ALDH1A1RXRARXRBMAPTNPC1
SCHEMBL17699403 0.87 RARB (0.53) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17699363 0.87 ALDH1A1 (0.50) ALDH1A1MAPTRARBHTTTSHR
SCHEMBL17699463 0.86 ALDH1A1 (0.69) ALDH1A1RXRARXRBMAPTNPC1
SCHEMBL17699322 0.85 ALDH1A1 (0.62) ALDH1A1RXRARXRBMAPTNPC1
SCHEMBL17699454 0.84 RARB (0.67) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
Benzoic Acid SCHEMBL1786487 0.84 TSHR (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL1330335 0.83 ALDH1A1 (1.00) ALDH1A1RXRARXRBMAPTNPC1
SCHEMBL1330795 0.83 ALDH1A1 (1.00) ALDH1A1RXRARXRBMAPTNPC1

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