SCHEMBL8638253

SCHEMBL8638253

CCOC(=O)C(Cc1ccccc1F)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MMP8 P22894 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PIN1 Q13526 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL10701648 0.94 NPC1 (0.50) ALDH1A1KMT2AKDM4EPOLBMMP8
SCHEMBL11900967 0.94 MMP8 (0.49) ALDH1A1KMT2AKDM4EPOLBMMP8
SCHEMBL6587934 0.92 KMT2A (0.47) ALDH1A1KMT2AKDM4EPOLBMMP8
SCHEMBL19502670 0.88 MMP8 (0.54) ALDH1A1KMT2APOLBMMP8TDP1
SCHEMBL23203481 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EPOLBMMP8
SCHEMBL28019865 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPOLBNPC1
SCHEMBL28019866 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPOLBNPC1
SCHEMBL28020287 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPOLBNPC1
SCHEMBL11900963 0.85 KMT2A (0.50) ALDH1A1KMT2AKDM4EPPARGPPARA
SCHEMBL231669 0.84 TSHR (0.47) ALDH1A1KMT2AKDM4EPOLBTDP1

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
EP-0643688-B1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN SPA (IT) 1998-07-29 EP disclosed
WO-1998020001-A1 THIOPROLINE-CONTAINING INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 WO disclosed
CN-1035938-C Substituted (arylalkoxybenzyl) aminopropanamide derivatives, their preparation and use as anti-epileptic, neuroprotective and antidepressant agents PHARMACIA FRAMITALIA CARLO ERB (IT) 1997-09-24 CN disclosed
US-5446066-A Antiepileptic, antidepressants, antispastic agent FARMITALIA CARLO ERBA S.R.L. (IT) 1995-08-29 US disclosed
CN-1104017-A Substituted (arylalkoxybenzyl) aminopropanamide derivatives, their preparation and use as anti-epileptic, neuroprotective and antidepressant agents ERBA FARMITALIA (IT) 1995-06-21 CN disclosed