SCHEMBL17699463

SCHEMBL17699463

CCC(O)C(CC)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 3/20 0.69
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.45
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 3/20 0.42
MEN1 O00255 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 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
SCHEMBL17699322 0.92 ALDH1A1 (0.62) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL17699466 0.89 ALDH1A1 (0.62) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL17699346 0.87 RARB (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17699433 0.86 ALDH1A1 (0.69) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL17699333 0.85 ALDH1A1 (0.49) ALDH1A1MAPTRARBHTTTSHR
SCHEMBL17699342 0.84 RARB (0.67) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
Benzoic Acid SCHEMBL561250 0.84 TSHR (0.54) ALDH1A1SMN1; SMN2RAB9AMAPTHTT
SCHEMBL17699379 0.83 ALDH1A1 (0.65) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL1330335 0.83 ALDH1A1 (1.00) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL1330795 0.83 ALDH1A1 (1.00) ALDH1A1RXRARXRBSMN1; SMN2NPC1

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