SCHEMBL5603701

SCHEMBL5603701

CC(C)(C)ON(C=O)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
NR4A2 P43354 1/20 0.41
ALDH2 P05091 1/20 0.41
MEP1B Q16820 1/20 0.41
TAS2R14 Q9NYV8 6/20 0.41
PTGES O14684 2/20 0.40
ALOX5 P09917 1/20 0.40
RXRG P48443 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
CXCR3 P49682 1/20 0.39
KMT2A Q03164 1/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5548141 0.85 LOXL2 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5741195 0.85 ALDH1A1 (0.41) ALDH1A1RXRARXRBNR4A2TAS2R14
SCHEMBL11503093 0.85 RXRA (0.41) ALDH1A1RXRARXRBRXRGEPHX2
SCHEMBL5604152 0.83 MEP1B (0.46) MEP1BNR1H4RAB9ASMN1; SMN2
SCHEMBL7763429 0.82 MEN1 (0.41) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL6370318 0.81 L3MBTL1 (0.43) RXRARXRBRXRGEPHX2NR1H4
SCHEMBL403826 0.80 TAAR1 (0.47) PTGESALOX5
SCHEMBL643420 0.80 MAPT (0.38) ALDH1A1EPHX2NPC1RAB9A
SCHEMBL5662615 0.80 LOXL2 (0.35) SMN1; SMN2
SCHEMBL5780510 0.80 ALDH1A1 (0.38) ALDH1A1EPHX2NR1H4KMT2ARAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007066099-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 EP disclosed
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed
US-5166403-A Liquid crystals SHOWA DENKO K.K. (JP) 1992-11-24 US disclosed
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed