SCHEMBL7381077

SCHEMBL7381077

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TAS1R3 Q7RTX0 4/20 0.43
▸ TAS1R1 Q7RTX1 4/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ FPR1 P21462 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ ADORA2B P29275 1/20 0.39

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
SCHEMBL7384389 0.84 TAS1R3 (0.36) TAS1R3TAS1R1
SCHEMBL9875926 0.80 ALDH1A1 (0.53) HSD17B10
SCHEMBL9875934 0.80 ALDH1A1 (0.53) HSD17B10
SCHEMBL7380910 0.75 KMT2A (0.45) CYP3A4HSD17B10
SCHEMBL7386107 0.75 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10
SCHEMBL8486193 0.73 HRH4 (0.45) ACEHRH4MMP2MMP9MMP8
SCHEMBL8486197 0.73 HRH4 (0.45) ACEHRH4MMP2MMP9MMP8
SCHEMBL25987895 0.73 TAAR1 (0.59) SMN1; SMN2TAS1R3TAS1R1CYP3A4HPGD
SCHEMBL5808669 0.73 HDAC6 (0.39) HSD17B10
SCHEMBL7118271 0.73 TAAR1 (0.58) SMN1; SMN2TAS1R3TAS1R1CYP3A4HPGD

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-4870183-A RENIN INHIBITORS, HYPOTENSIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 — — US disclosed
EP-0252727-A1 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1988-01-13 — — EP disclosed
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