SCHEMBL9764130

SCHEMBL9764130

Cc1cccc(C)c1-n1c(C)c(C(C)C)c(C=O)c1-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGS2 P35354 1/20 0.33
ALB P02768 1/20 0.31
LIPE Q05469 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
LDHA P00338 1/20 0.30
ESR1 P03372 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
LDHB P07195 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
SCHEMBL9764105 0.84 MEN1 (0.39) LMNAALDH1A1MEN1KMT2APTGS2
SCHEMBL9764098 0.73 ALDH1A1 (0.51) LMNAALDH1A1MEN1KMT2APTGS2
SCHEMBL9756864 0.72 HMGCR (0.38) LMNAALDH1A1MEN1KMT2APTGS2
SCHEMBL9756865 0.72 HMGCR (0.38) LMNAALDH1A1MEN1KMT2APTGS2
SCHEMBL9697139 0.69 ALDH1A1 (0.41) LMNAALDH1A1MEN1MAPK1HTT
SCHEMBL9696399 0.68 KMT2A (0.45) LMNAALDH1A1MEN1HTTKMT2A
SCHEMBL10335177 0.65 KMT2A (0.36) LMNAALDH1A1MEN1KMT2APTGS2
SCHEMBL10304736 0.64 PTGS2 (0.40) ALDH1A1TSHRPTGS2MAPTKDM4E
SCHEMBL9750845 0.63 HMGCR (0.56) LMNAALDH1A1KMT2APTGS2
SCHEMBL9518289 0.63 HMGCR (0.47) LMNAALDH1A1MEN1KMT2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032590-A Substituted hydroxylamines BAYER AKTIENGESELLSCHAFT (DE) 1991-07-16 US disclosed
US-4968681-A Substituted hydroxylamines BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
EP-0317845-A2 Substituted hydroxyl amines BAYER AG (DE) 1989-05-31 EP disclosed