SCHEMBL9843596

SCHEMBL9843596

O=C(O)c1ccc(C(=O)OCC2(CO)CCCCC2)cc1.O=C1OCCOC(=O)c2ccc1cc2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PRKCE Q02156 1/20 0.35
RASGRP3 Q8IV61 1/20 0.35

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
SCHEMBL177283 0.87 MAPT (0.41) PRKCARAB9AALDH1A1PRKCERASGRP3
Ethylene Glycol SCHEMBL2299685 0.84 MAPT (0.39) PRKCARAB9AALDH1A1
Isophthalic Acid SCHEMBL3722557 0.82 TDP1 (0.39) PRKCANPC1RAB9A
SCHEMBL11508409 0.80 TDP1 (0.46) PRKCAALDH1A1
SCHEMBL28846601 0.78 CNR2 (0.33) NPC1RAB9AALDH1A1
SCHEMBL8734973 0.77 RAB9A (0.40) NPC1RAB9AALDH1A1
SCHEMBL3984664 0.74 TDP1 (0.41) NPC1RAB9AALDH1A1
Terephthalic Acid SCHEMBL3979457 0.74 TSHR (0.50) NPC1RAB9A
SCHEMBL3983911 0.73 MAPT (0.37) RAB9AALDH1A1
SCHEMBL1713120 0.73 TDP1 (0.50) NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424039-A1 Separation of mixtures of aromatics and saturates EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-04-24 EP disclosed