SCHEMBL7709636

SCHEMBL7709636

COC1Oc2ccc([C](C)C)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NQO1 P15559 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
SCHEMBL10041191 0.77 NPC1 (0.50) MEN1KMT2A
SCHEMBL6619829 0.71 CA2 (0.36)
SCHEMBL7709944 0.70 CYP3A4 (0.33) KDM4E
SCHEMBL19500875 0.67 CA12 (0.47) MEN1KMT2AKDM4E
SCHEMBL22689504 0.66 CYP3A4 (0.50) MEN1KMT2AKDM4E
SCHEMBL6802227 0.65 KDM4E (0.43) PTPN1POLBMEN1KMT2AKDM4E
SCHEMBL7074497 0.64 MEN1 (0.62) POLBMEN1KMT2AKDM4E
SCHEMBL14127316 0.64 POLB (0.67) POLBMEN1KMT2AKDM4E
SCHEMBL6801600 0.61 PTPN1 (0.53) PTPN1MEN1KMT2AKDM4E
SCHEMBL3771417 0.60 TDP1 (0.56) PTPN1POLBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355634-B1 OXIME DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US claimed