SCHEMBL7787261

SCHEMBL7787261

Cc1ccc([C@H](O)[C@@H](C)N)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ADRA1A P35348 3/20 0.44
HTR2B P41595 2/20 0.44
TRPA1 O75762 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA2A P08913 2/20 0.42
CYP2D6 P10635 1/20 0.42
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HIF1A Q16665 2/20 0.41
ADRA2C P18825 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
RECQL P46063 4/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL21360226 1.00 LMNA (0.44) LMNAADRA1AHTR2BTRPA1CHRM1
SCHEMBL5057122 1.00 LMNA (0.44) LMNAADRA1AHTR2BTRPA1CHRM1
SCHEMBL7783897 0.88 ADRA1A (0.42) LMNAADRA1AHTR2BTRPA1CHRM1
SCHEMBL5057097 0.88 ADRA1A (0.42) LMNAADRA1AHTR2BTRPA1CHRM1
Hydrochloric Acid SCHEMBL8781949 0.86 BLM (0.44) LMNAADRA1AHTR2BTRPA1CHRM1
SCHEMBL6055257 0.83 TRPA1 (0.47) LMNAADRA1AHTR2BTRPA1CHRM1
SCHEMBL14168846 0.83 LMNA (0.45) LMNAADRA1AHTR2BTRPA1CHRM1
SCHEMBL14168844 0.83 LMNA (0.45) LMNAADRA1AHTR2BTRPA1CHRM1
SCHEMBL6392204 0.83 LMNA (0.45) LMNAADRA1AHTR2BTRPA1CHRM1
SCHEMBL6814024 0.82 ADRA1A (0.50) LMNAADRA1AHTR2BADRA2ACYP2D6

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
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed