SCHEMBL9007582

SCHEMBL9007582

O=C(O)COC1=C(Cc2ccc3c(Cl)cccc3c2)C(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
AKR1B1 P15121 1/20 0.35
MCL1 Q07820 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
PTPN1 P18031 2/20 0.34
CCR2 P41597 1/20 0.33
PTPN7 P35236 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9007515 0.95 KMT2A (0.39) KMT2ATHRATHRBKDM4ETDP1
SCHEMBL9007498 0.84 PTPN7 (0.50) KMT2ATHRATHRBPTPN1PTPN7
SCHEMBL9007551 0.82 WDR5 (0.35) THRATHRBKDM4ETDP1ALDH1A1
SCHEMBL9007566 0.81 AKR1B1 (0.42) THRATHRBAKR1B1SLC22A12
SCHEMBL9007533 0.78 PTPN7 (0.49) KMT2AHPGDPTPN1PTPN7TSHR
SCHEMBL9007525 0.78 AKR1B1 (0.41) THRATHRBAKR1B1SLC22A12
SCHEMBL9007553 0.76 NQO1 (0.37) KMT2ATHRATHRBALDH1A1AKR1B1
SCHEMBL9007535 0.72 LDHA (0.32) KMT2AKDM4EALDH1A1HPGDAKR1B1
SCHEMBL11740657 0.70 AKR1B1 (0.60) KMT2ATHRATHRBKDM4EALDH1A1
SCHEMBL8734287 0.69 KMT2A (0.42) KMT2ATHRATHRBKDM4ETDP1

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-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US claimed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US claimed
US-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US disclosed