SCHEMBL17699458

SCHEMBL17699458

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
RARB P10826 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
BCL2 P10415 1/20 0.44
RARA P10276 1/20 0.44
MTOR P42345 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
PLK1 P53350 1/20 0.43
PLA2G4B P0C869 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 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
SCHEMBL17699422 0.89 RARB (0.53) ALDH1A1RARBSMN1; SMN2NPC1RAB9A
SCHEMBL17699344 0.88 ALDH1A1 (0.74) ALDH1A1RXRARXRBTAS1R3TAS1R1
SCHEMBL17699375 0.86 ALDH1A1 (0.47) ALDH1A1RARBPTGER4PTGER2
SCHEMBL17699360 0.86 RARB (0.67) ALDH1A1RARBSMN1; SMN2NPC1RAB9A
Benzoic Acid SCHEMBL569362 0.84 TSHR (0.52) ALDH1A1NPC1RAB9AKMT2APLA2G4B
Benzoic Acid SCHEMBL18036621 0.83 DAO (0.47) ALDH1A1RARBNPC1RAB9APLA2G4B
Benzoic Acid SCHEMBL27592470 0.83 DAO (0.47) ALDH1A1RARBNPC1RAB9APLA2G4B
SCHEMBL17699405 0.83 RARB (0.68) ALDH1A1RARBKMT2AMAPTMEN1
SCHEMBL17699471 0.83 RARB (0.63) ALDH1A1RARBSMN1; SMN2NPC1RAB9A
SCHEMBL17699417 0.82 ALDH1A1 (0.65) ALDH1A1RXRARXRBTAS1R3TAS1R1

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