SCHEMBL9327956

SCHEMBL9327956

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ THRB P10828 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ ATM Q13315 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 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
SCHEMBL9440084 0.91 ALDH1A1 (0.49) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL9327824 0.90 MME (0.55) —
SCHEMBL9327982 0.88 ALDH1A1 (0.57) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL9439966 0.85 IL1RN (0.53) —
SCHEMBL9440145 0.82 ALDH1A1 (0.59) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL9169974 0.81 ALDH1A1 (0.60) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL6545851 0.81 ALDH1A1 (0.60) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL7030032 0.81 ALDH1A1 (0.60) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL10907014 0.81 ALDH1A1 (0.60) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL3499885 0.80 ATM (0.58) ALDH1A1CYP2C9THRBCYP2C19HSD17B10

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 8 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-0321479-B1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES COCA COLA CO (US) 1994-03-09 — — EP disclosed
EP-0470175-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1992-02-12 — — EP disclosed
US-5002871-A Enzymatic membrane method for the synthesis and separation of peptides THE COCA-COLA COMPANY (US) 1991-03-26 — — US 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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