SCHEMBL10520573

SCHEMBL10520573

O=C(CC(Cc1cccc2ccccc12)C(=O)O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ CTNNB1 P35222 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HRH4 Q9H3N8 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL10749706 0.84 MME (0.49) CTNNB1HRH4MMP2MMP9MMP8
SCHEMBL10338654 0.83 CPA1 (0.57) CTNNB1HRH4HPGDTDP1
SCHEMBL7429100 0.83 CPA1 (0.57) CTNNB1HRH4HPGDTDP1
SCHEMBL9194477 0.83 CPA1 (0.57) CTNNB1HRH4HPGDTDP1
SCHEMBL10519718 0.83 HRH4 (0.52) MEN1KMT2AMAPTCTNNB1HRH4
SCHEMBL7291238 0.83 HRH4 (0.52) MEN1KMT2AMAPTCTNNB1HRH4
SCHEMBL6677809 0.82 CTNNB1 (0.63) MEN1KMT2AMAPTCTNNB1HRH4
SCHEMBL8006913 0.82 MME (0.47) MEN1KMT2AMAPTCTNNB1HRH4
Hydrochloric Acid SCHEMBL10338415 0.81 CPA1 (0.56) CTNNB1HRH4HPGDTDP1
Hydrochloric Acid SCHEMBL10338413 0.81 CPA1 (0.56) CTNNB1HRH4HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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