SCHEMBL7397381

SCHEMBL7397381

O=C(NC(Cc1ccccc1)[PH](=O)OCO)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
TACR1 P25103 3/20 0.49
CTSL P07711 3/20 0.48
CTSK P43235 3/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL7352077 0.85 TRPM8 (0.57) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL18803174 0.84 CTSL (0.52) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL3864222 0.83 CTRB1 (0.59) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL13866599 0.83 CTRB1 (0.59) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL3893048 0.83 CTRB1 (0.59) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL7397175 0.83 CTRB1 (0.50) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL7391505 0.83 NMBR (0.59) TACR1
SCHEMBL7345336 0.79 ATM (0.59) CTRB1CTSLCTSKCTSBCTSS
SCHEMBL7398775 0.79 ECE1 (0.52) CTRB1CTSLCTSKCTSBCTSS
SCHEMBL8022777 0.78 LTA4H (0.54) CTRB1TRPM8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 US claimed
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 US disclosed
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO disclosed