SCHEMBL11208348

SCHEMBL11208348

COC(=O)C(C)Oc1cccc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.44
CNR2 P34972 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ELANE P08246 1/20 0.42
TACR3 P29371 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 1/20 0.42
NR4A2 P43354 1/20 0.41
DHODH Q02127 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ADORA1 P30542 1/20 0.40
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TACR2 P21452 3/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL11204613 0.87 CYP1A2 (0.53) CNR2ADORA3ELANEMEN1KMT2A
SCHEMBL11200300 0.86 TSHR (0.54) CNR2ADORA3MEN1KMT2ARAB9A
SCHEMBL2301796 0.78 MEN1 (0.54) CNR2MEN1KMT2ARAB9AMAPT
SCHEMBL11209392 0.75 MEN1 (0.46) CNR2ADORA3ELANEMEN1KMT2A
SCHEMBL11208730 0.75 TRPV3 (0.48) CNR2ADORA3ELANEMEN1KMT2A
SCHEMBL6641758 0.74 SMN1; SMN2 (0.45) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL11205319 0.74 MEN1 (0.44) CNR2ELANEMEN1KMT2ARAB9A
SCHEMBL11199852 0.73 LTB4R (0.46) CNR2ADORA3ELANEMEN1KMT2A
SCHEMBL1360819 0.72 RAB9A (0.60) ADORA3MEN1KMT2ARAB9ANR4A2
SCHEMBL11123099 0.72 CYP1A2 (0.72) KLK7MEN1KMT2AKDM4EMAPT

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
EP-0090353-A1 2-Pyridone derivatives, method for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-10-05 EP disclosed