SCHEMBL7428630

SCHEMBL7428630

O=C(NC(Cc1ccccc1)C(O)C(F)(F)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.55
CTRB1 P17538 2/20 0.53
TACR1 P25103 2/20 0.51
CTSB P07858 2/20 0.51
CTSL P07711 4/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47

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
SCHEMBL7321385 1.00 TRPM8 (0.55) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL9724730 0.90 TRPM8 (0.53) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL5704587 0.90 TRPM8 (0.57) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL10431941 0.89 CTSL (0.51) TRPM8CTSBCTSL
SCHEMBL7152790 0.88 TRPM8 (0.54) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL7320400 0.88 TRPM8 (0.54) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL7807979 0.87 TRPM8 (0.56) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL7296754 0.86 CTSK (0.57) CTSBCTSLCTSSCTSK
SCHEMBL7268961 0.86 TRPM8 (0.54) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL7335755 0.85 TRPM8 (0.53) TRPM8CTRB1TACR1CTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721449-B1 INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION MERRELL PHARMA INC (US) 2001-12-19 EP disclosed
US-5977074-A THERAPY FOR ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS, INC. (US) 1999-11-02 US disclosed
EP-0721449-A1 INHIBITORS OF $g(b)-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1996-07-17 EP disclosed
WO-1995009838-A1 INHIBITORS OF β-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1995-04-13 WO disclosed
US-5114927-A Hypotensive agents and inhibiting renin MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-19 US disclosed
EP-0371179-A1 Novel analogs of peptidase substrates MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-06 EP disclosed
EP-0368719-A2 Novel analogs of peptidase substrates MERRELL PHARMACEUTICALS INC. (US) 1990-05-16 EP disclosed
EP-0362002-A1 HIV protease inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed