SCHEMBL7380274

SCHEMBL7380274

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.46
ACE P12821 7/20 0.46
CPA1 P15085 7/20 0.46
ACE2 Q9BYF1 7/20 0.46
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
GNPAT O15228 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
SCHEMBL10647590 0.84 MME (0.48) MMEACECPA1ACE2
SCHEMBL11074641 0.84 MME (0.48) MMEACECPA1ACE2
SCHEMBL7377272 0.84 MME (0.56) MMEACECPA1ACE2
SCHEMBL7374671 0.84 REN (0.39) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7381805 0.84 ALDH1A1 (0.41) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10648066 0.84 ALDH1A1 (0.41) MMEACECPA1ACE2ALDH1A1
SCHEMBL10647242 0.84 ALDH1A1 (0.41) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7381161 0.83 TACR1 (0.48) MMEACEALDH1A1POLB
SCHEMBL7383447 0.83 ACE (0.46) MMEACE
SCHEMBL10449998 0.82 CTSL (0.40) ACEALDH1A1THRBCYP2C9CYP2C19

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-4610816-A ANALGESICS SCHERING CORPORATION (US) 1986-09-09 US disclosed