SCHEMBL8478010

SCHEMBL8478010

CC(C)CNC[C@@H](NC(=O)OCc1ccccc1)[C@@H](O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.53
ATM Q13315 1/20 0.51
CTSK P43235 6/20 0.49
CTSL P07711 5/20 0.49
SPPL2A Q8TCT8 1/20 0.48
CTSS P25774 3/20 0.48
CTSB P07858 2/20 0.48
ACE2 Q9BYF1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
REN P00797 1/20 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
SCHEMBL24324236 0.90 TRPM8 (0.56) CTRB1TRPM8ATMCTSKCTSL
SCHEMBL7698179 0.90 TRPM8 (0.56) CTRB1TRPM8ATMCTSKCTSL
SCHEMBL4910315 0.90 TRPM8 (0.56) CTRB1TRPM8ATMCTSKCTSL
SCHEMBL5413813 0.90 TRPM8 (0.56) CTRB1TRPM8ATMCTSKCTSL
SCHEMBL3029758 0.85 CTSK (0.55) CTRB1ATMCTSKCTSLCTSS
SCHEMBL2577831 0.80 SPPL2A (0.53) CTRB1TRPM8CTSKCTSLSPPL2A
SCHEMBL2582361 0.80 SPPL2A (0.53) CTRB1TRPM8CTSKCTSLSPPL2A
SCHEMBL4908808 0.80 SPPL2A (0.53) CTRB1TRPM8CTSKCTSLSPPL2A
SCHEMBL25465632 0.79 TRPM8 (0.66) CTRB1TRPM8ATMCTSKCTSL
SCHEMBL13219392 0.79 TRPM8 (0.59) CTRB1TRPM8ATMCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985870-A TREATING HIV INFECTIONS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed