SCHEMBL11645189

SCHEMBL11645189

O=C(O)Oc1cc(O)cc(O)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
ACHE P22303 2/20 0.52
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPN1 P18031 3/20 0.44
PTPN11 Q06124 2/20 0.44
FASN P49327 1/20 0.42
PTPN2 P17706 1/20 0.42
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ABL1 P00519 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL5603951 0.86 CYP3A4 (0.54) CYP3A4ACHEKMT2AMEN1HPGD
SCHEMBL18677488 0.80 SYNJ2 (0.60) CYP3A4ACHEKMT2AMEN1HPGD
SCHEMBL724973 0.78 SYNJ2 (0.70) FASNPOLBMAPTKDM4ERECQL
SCHEMBL5603948 0.78 CYP3A4 (0.70) CYP3A4ACHEKMT2AMEN1HPGD
SCHEMBL180437 0.78 CYP3A4 (0.70) CYP3A4ACHEKMT2AMEN1HPGD
SCHEMBL29396136 0.77 SYNJ2 (0.56) CYP3A4ACHEKMT2AMEN1HPGD
SCHEMBL17944269 0.77 SYNJ2 (0.56) CYP3A4ACHEKMT2AMEN1HPGD
SCHEMBL10716487 0.76 CA12 (0.40) CYP3A4HPGDALDH1A1MAPK1HSD17B10
SCHEMBL27051464 0.76 CYP3A4 (0.47) CYP3A4ACHEKMT2AMEN1HPGD
SCHEMBL1898807 0.75 CYP3A4 (0.72) CYP3A4ACHEKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4123461-A Benzene-tricarboxylic acid-(1,3,5)-tri-N-chloramide and process for the preparation thereof AKZONA INCORPORATED (US) 1978-10-31 US disclosed
US-4057588-A Process for the preparation of phloroglucinol AKZONA INCORPORATED (US) 1977-11-08 US disclosed