SCHEMBL5764068

SCHEMBL5764068

O=C(O)C(OC1(c2cccc3c2oc2ccccc23)C=CC(c2ccccc2)=C(Cl)C1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TTR P02766 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5766783 0.89 KDM4E (0.33) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5765164 0.87 PTPN1 (0.32) PTPN1
SCHEMBL5767136 0.71 PTPN1 (0.33) PTPN1
SCHEMBL4265420 0.62 PTPN1 (0.59) PTPN1MEN1POLBCASP3KMT2A
SCHEMBL4263227 0.62 MEN1 (0.51) PTPN1MEN1POLBCASP3KMT2A
SCHEMBL4259861 0.61 KDM4E (0.46) PTPN1MEN1POLBCASP3KMT2A
SCHEMBL11197427 0.57 ALOX5 (0.43) MEN1CASP3KMT2ATTRKDM4E
SCHEMBL27769277 0.57 CYP1A2 (0.31)
SCHEMBL27714338 0.56 GAA (0.32)
SCHEMBL29006753 0.55 MAOA (0.51) MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006525329-A 2006-11-09 JP claimed
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO disclosed