SCHEMBL7397992

SCHEMBL7397992

CCOC(=O)Cc1cccc(OCCBr)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
MAPK1 P28482 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 2/20 0.53
PPARA Q07869 2/20 0.51
PPARG P37231 2/20 0.51
PLA2G4B P0C869 1/20 0.45
F10 P00742 1/20 0.45
MAOB P27338 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.43
AR P10275 1/20 0.43
CYP2D6 P10635 3/20 0.42
TBXAS1 P24557 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL27855936 0.93 L3MBTL1 (0.53) L3MBTL1MAPK1TDP1TSHRPPARA
SCHEMBL27855922 0.92 L3MBTL1 (0.55) L3MBTL1MAPK1TDP1TSHRPPARA
SCHEMBL27855926 0.91 L3MBTL1 (0.54) L3MBTL1MAPK1TDP1TSHRPPARA
SCHEMBL31285834 0.87 PPARA (0.57) L3MBTL1MAPK1TDP1TSHRPPARA
SCHEMBL2008583 0.87 PPARA (0.57) L3MBTL1MAPK1TDP1TSHRPPARA
SCHEMBL7041814 0.86 L3MBTL1 (0.54) L3MBTL1MAPK1TDP1TSHRPPARA
SCHEMBL8147646 0.86 L3MBTL1 (0.53) L3MBTL1MAPK1TDP1TSHRPPARA
SCHEMBL334386 0.86 SLC7A5 (0.48) L3MBTL1MAPK1TDP1TSHRPLA2G4B
SCHEMBL27356055 0.84 MAPK1 (0.55) L3MBTL1MAPK1TDP1TSHRPPARA
SCHEMBL7969106 0.82 TBXAS1 (0.57) PPARGALDH1A1CYP2D6TBXAS1LTA4H

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-6310217-B1 ANTIINFLAMMATORY AND ANALGESIC AGENTS MERCKLE GMBH (DE) 2001-10-30 US disclosed
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed