SCHEMBL11262388

SCHEMBL11262388

CC1(C)CCc2cc(Cl)cc(-c3nc4cc(Cl)ccc4[nH]3)c2O1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 11/20 0.37
HRH4 Q9H3N8 2/20 0.36
NPBWR1 P48145 3/20 0.34
PTGES O14684 1/20 0.33
TYMS P04818 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FTO Q9C0B1 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL11253114 0.89 AMY1A (0.47) AMY1AKDM4EALDH1A1TP53MAPT
SCHEMBL11262531 0.88 AMY1A (0.41) AMY1AHRH4NPBWR1MEN1KMT2A
SCHEMBL11259880 0.87 AMY1A (0.51) AMY1ANPBWR1MEN1MAPTKMT2A
SCHEMBL11264095 0.85 AMY1A (0.34) AMY1APTGESKDM4EALDH1A1MAPK1
SCHEMBL11255428 0.84 ALDH1A1 (0.44) AMY1AKDM4EALDH1A1HPGD
SCHEMBL11266547 0.83 RHEB (0.31)
Hydrochloric Acid SCHEMBL11264419 0.79 PDE5A (0.43) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL11261992 0.76 METAP2 (0.33) MAPT
SCHEMBL11253305 0.72 NPC1 (0.48) AMY1AKDM4EMEN1ALDH1A1TP53
SCHEMBL11251140 0.72 ALDH1A1 (0.40) AMY1AKDM4EMEN1ALDH1A1TP53

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-4329459-A ENDOPEROXIDE CYCLOXGENASE INHIBITORS THE UPJOHN COMPANY (US) 1982-05-11 US claimed
US-4329459-A ENDOPEROXIDE CYCLOXGENASE INHIBITORS THE UPJOHN COMPANY (US) 1982-05-11 US disclosed