SCHEMBL8112940

SCHEMBL8112940

CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)C(C)(C)C)CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA1 P30542 2/20 0.34
MAPT P10636 1/20 0.32
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH2 P05091 1/20 0.30
PTGS2 P35354 5/20 0.30
PTGS1 P23219 3/20 0.30
ALDH1A1 P00352 2/20 0.30
ABCB11 O95342 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
SCHEMBL7209897 0.89 KMT2A (0.36) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL8106898 0.88 KMT2A (0.35) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL19261230 0.86 KMT2A (0.35) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL8111418 0.85 KMT2A (0.33) KMT2AKDM4EHPGDSMN1; SMN2ADORA1
SCHEMBL7209825 0.84 PDK1 (0.40) KMT2AKDM4EHPGDADORA1MAPT
SCHEMBL8106875 0.84 OPRM1 (0.34) KMT2AKDM4EHPGDSMN1; SMN2ADORA1
SCHEMBL8097626 0.84 FGFR1 (0.33) KMT2AKDM4EHPGDSMN1; SMN2ADORA1
SCHEMBL8097596 0.83 ADORA1 (0.35) KMT2AKDM4EHPGDSMN1; SMN2ADORA1
SCHEMBL8105338 0.83 HPGD (0.35) KMT2AKDM4EHPGDSMN1; SMN2ADORA1
SCHEMBL8097651 0.83 LMNA (0.34) KMT2AKDM4EHPGDSMN1; SMN2ADORA1

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-6046135-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD (GB) 2000-04-04 US claimed
US-6046135-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD (GB) 2000-04-04 US disclosed