SCHEMBL9440145

SCHEMBL9440145

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ THRB P10828 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ ALOX15 P16050 1/20 0.57
▸ CAPN1 P07384 2/20 0.56
▸ CTSL P07711 2/20 0.55
▸ CTSS P25774 2/20 0.55
▸ CTSB P07858 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ TRPM8 Q7Z2W7 1/20 0.54
▸ TSHR P16473 4/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ TACR1 P25103 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ATM Q13315 1/20 0.51

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
SCHEMBL9439818 0.93 MME (0.57) ALDH1A1ALOX15CAPN1CTSLCTSS
SCHEMBL9416814 0.91 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10934632 0.88 ALDH1A1 (0.57) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6534667 0.86 TSHR (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10985362 0.86 CTSS (0.53) CAPN1CTSLCTSSCTSBCTSK
SCHEMBL11781682 0.85 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9545976 0.85 CTSL (0.69) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL329686 0.85 ALDH1A1 (0.74) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7151822 0.85 ALDH1A1 (0.74) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL25282568 0.84 ALDH1A1 (0.55) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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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