SCHEMBL9723720

SCHEMBL9723720

O=C(O)c1cc2ccccc2cc1C(=O)c1cc2ccccc2cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.63
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.55
GFER P55789 1/20 0.55
NGLY1 Q96IV0 1/20 0.55
CDC25B P30305 4/20 0.53
PTPN1 P18031 1/20 0.53
ALOX15 P16050 1/20 0.52
MYC P01106 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA4 P22748 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
HSD17B10 Q99714 2/20 0.50

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
SCHEMBL69178 0.93 IDO1 (0.71) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL29373760 0.93 IDO1 (0.71) IDO1ALDH1A1KDM4EHPGDMAPT
Hydrochloric Acid SCHEMBL28770512 0.90 IDO1 (0.68) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL12983974 0.90 IDO1 (0.68) IDO1ALDH1A1KDM4EHPGDMAPT
Hydrochloric Acid SCHEMBL1958555 0.90 IDO1 (0.68) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL7821719 0.89 KDM4E (0.63) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL69728 0.88 IDO1 (0.65) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL29450086 0.88 IDO1 (0.65) IDO1ALDH1A1KDM4EHPGDMAPT
Terephthalic Acid SCHEMBL17923687 0.84 IDO1 (0.61) IDO1ALDH1A1KDM4EHPGDMAPT
Ethylene Glycol SCHEMBL27905573 0.84 IDO1 (0.61) IDO1ALDH1A1KDM4EHPGDMAPT

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-5164470-A Polymer compositions SHELL OIL COMPANY (US) 1992-11-17 US disclosed
US-4914176-A Poly(heterocyclic) polymers SHELL OIL COMPANY (US) 1990-04-03 US disclosed