SCHEMBL9440084

SCHEMBL9440084

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ MME P08473 5/20 0.43
▸ ACE P12821 2/20 0.43
▸ CPA1 P15085 2/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ DAGLA Q9Y4D2 1/20 0.42

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
SCHEMBL9327956 0.91 ALDH1A1 (0.60) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9327824 0.88 MME (0.55) MEN1KMT2ATAAR1MMEACE
SCHEMBL6948896 0.83 MEN1 (0.55) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9327982 0.79 ALDH1A1 (0.57) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL22995973 0.79 ALDH1A1 (0.59) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9439966 0.77 IL1RN (0.53) MEN1KMT2AACE
SCHEMBL5812998 0.76 TACR1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL5813004 0.76 TACR1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9327828 0.74 MME (0.56) MMEACECPA1ACE2
SCHEMBL1436847 0.74 MME (0.58) MEN1KMT2ATAAR1MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470175-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1992-02-12 — — EP claimed
WO-1990012883-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1990-11-01 — — WO claimed
US-5350681-A Aspartame THE COCA-COLA COMPANY (US) 1994-09-27 — — US disclosed
US-5336601-A Enzymatic membrane method for the snythesis and separation of peptides THE COCA-COLA COMPANY (US) 1994-08-09 — — US disclosed
EP-0470175-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1992-02-12 — — EP disclosed
WO-1990012883-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1990-11-01 — — WO disclosed
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