SCHEMBL6864417

SCHEMBL6864417

O=C(Oc1cccc(C(=O)O)c1-c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.55
TOP1 P11387 1/20 0.54
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ESR1 P03372 3/20 0.53
ESR2 Q92731 2/20 0.53
HSD17B10 Q99714 6/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
JAK2 O60674 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL8778061 0.91 ESR1 (0.55) SLC6A3TOP1KMT2AMAPTSMN1; SMN2
SCHEMBL30505635 0.83 SLC6A3 (0.71) SLC6A3KMT2AMAPTSMN1; SMN2ESR1
SCHEMBL1979275 0.83 SLC6A3 (0.71) SLC6A3KMT2AMAPTSMN1; SMN2ESR1
SCHEMBL27973572 0.82 ESR1 (0.64) SLC6A3TOP1KMT2AMAPTSMN1; SMN2
SCHEMBL10440074 0.82 KDM4E (0.69) KMT2AMAPTSMN1; SMN2ESR1HSD17B10
SCHEMBL27973757 0.82 TOP1 (0.55) SLC6A3TOP1KMT2AMAPTSMN1; SMN2
SCHEMBL8777320 0.81 SLC6A3 (0.69) SLC6A3KMT2AMAPTSMN1; SMN2ESR1
SCHEMBL11777918 0.80 SLC6A3 (0.58) SLC6A3TOP1KMT2AMAPTSMN1; SMN2
SCHEMBL796288 0.80 ESR1 (0.59) SLC6A3TOP1KMT2AMAPTSMN1; SMN2
SCHEMBL28263594 0.80 HSD17B10 (0.72) SLC6A3TOP1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720287-B2 WHEN AN AROMATIC DICARBOXYLATE IS ENCAPSULATEDTOGETHER WITH THE DIAZONIUM SALT COMPOUND, GENERATION OF PHOTODECOMPOSITION STAIN IS REDUCED AND SHELF LIFE IS IMPROVED FUJI PHOTO FILM CO., LTD. (JP) 2004-04-13 US disclosed
US-20030045426-A1 Heat sensitive recording material and microcapsule solution FUJI PHOTO FILM CO., LTD. 2003-03-06 US disclosed
EP-0355772-A2 Liquid-crystalline copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-02-28 EP disclosed
EP-0302875-A1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM. SECR DEFENCE BRIT (GB) 1989-02-15 EP disclosed
WO-1987006577-A2 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1987-11-05 WO disclosed