SCHEMBL7292530

SCHEMBL7292530

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ THRB P10828 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ REN P00797 1/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL7288779 0.91 GPR34 (0.53) ALDH1A1MEN1LMNAKMT2ACTSL
Triletide SCHEMBL11761127 0.87 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Triletide SCHEMBL9551361 0.87 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Triletide SCHEMBL27342204 0.87 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL27342815 0.86 ALDH1A1 (0.53) ALDH1A1LMNATHRBCYP2C9CYP2C19
SCHEMBL9551271 0.86 ALDH1A1 (0.53) ALDH1A1LMNATHRBCYP2C9CYP2C19
SCHEMBL10436049 0.86 ALDH1A1 (0.53) ALDH1A1LMNATHRBCYP2C9CYP2C19
SCHEMBL27352065 0.86 BIRC2 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9551368 0.85 CTSL (0.54) ALDH1A1CTSL
SCHEMBL9551274 0.85 CTSL (0.54) ALDH1A1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264106-B1 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use BANYU PHARMA CO LTD (JP) 1994-03-16 — — EP disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 — — US disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 — — EP disclosed
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