SCHEMBL9507394

SCHEMBL9507394

OCCOc1cc(Cl)cc(OCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.40
NR1I2 O75469 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 1/20 0.37
MCL1 Q07820 2/20 0.36
SOD1 P00441 1/20 0.36

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
SCHEMBL10359368 0.95 MAPT (0.55) MAPTALDH1A1RECQLCYP2D6CYP2C19
SCHEMBL5378158 0.87 ALDH1A1 (0.59) ALDH1A1RECQLCYP2D6CYP2C19CYP1A2
SCHEMBL16493110 0.86 MAPT (0.43) MAPTALDH1A1RECQLCYP2D6CYP2C19
SCHEMBL16959221 0.81 MAPT (0.40) MAPTALDH1A1RECQLCYP2D6CYP2C19
SCHEMBL16959218 0.81 ALDH1A1 (0.41) MAPTALDH1A1RECQLCYP2D6CYP2C19
SCHEMBL11682206 0.81 MAPT (0.40) MAPTALDH1A1RECQLCYP2D6CYP2C19
SCHEMBL17046340 0.80 ALDH1A1 (0.43) MAPTALDH1A1RECQLCYP2D6CYP2C19
SCHEMBL9713832 0.80 ALDH1A1 (0.48) MAPTALDH1A1RECQLNR1I2GAA
SCHEMBL10359305 0.79 ALDH1A1 (0.46) ALDH1A1RECQLCYP2D6CYP2C19CYP1A2
SCHEMBL2096611 0.79 KMT2A (0.62) ALDH1A1RECQLCYP2D6KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408644-B1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND EASTMAN KODAK COMPANY (US) 1993-07-28 EP disclosed
EP-0408644-A1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND. EASTMAN KODAK CO (US) 1991-01-23 EP disclosed
WO-1989009761-A1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND EASTMAN KODAK COMPANY (US) 1989-10-19 WO disclosed
US-4468510-A FILMS, FIBERS, MOLDING PLASTICS, LOW GAS PERMEABILITY EASTMAN KODAK COMPANY (US) 1984-08-28 US disclosed