SCHEMBL10523183

SCHEMBL10523183

O=C(C/C(=C/c1cccc2ccccc12)C(=O)O)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ EPHX1 P07099 1/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ NCOR2 Q9Y618 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL10523190 1.00 MEN1 (0.48) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL10520133 0.88 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1TRPV1
SCHEMBL10520127 0.88 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1TRPV1
SCHEMBL9555122 0.80 ALDH1A1 (0.58) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL9555118 0.80 ALDH1A1 (0.58) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL7328215 0.80 KDM4E (0.51) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL7328223 0.80 KDM4E (0.51) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL5698294 0.75 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1HDAC8
SCHEMBL10477791 0.75 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1HDAC8
SCHEMBL10477792 0.75 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1HDAC8

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 4 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
US-4841067-A RENIN INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-06-20 — — US disclosed
EP-0190891-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-08-13 — — EP disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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