SCHEMBL7246793

SCHEMBL7246793

CC(C)C(N)Sc1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TYR P14679 1/20 0.41
ALDH1A1 P00352 7/20 0.41
EPHX1 P07099 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34

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
SCHEMBL7244305 0.80 ALDH1A1 (0.42) LMNATYRALDH1A1EPHX1TSHR
SCHEMBL13403334 0.79 TSHR (0.44) LMNATYRALDH1A1EPHX1TSHR
SCHEMBL7245397 0.75 ADRB2 (0.46) LMNATSHRMAPTNPSR1THRB
SCHEMBL7238679 0.74 MAOA (0.48) LMNAALDH1A1MAPTHPGDSLC6A4
SCHEMBL19867491 0.73 KIF11 (0.47) LMNATYRALDH1A1TSHRMAPT
SCHEMBL19154876 0.72 TSHR (0.42) LMNATYRALDH1A1TSHRMAPT
SCHEMBL7242681 0.71 MEN1 (0.42) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL8031525 0.71 ALDH1A1 (0.44) LMNATYRALDH1A1EPHX1TSHR
SCHEMBL30227100 0.69 TSHR (0.39) LMNATYRALDH1A1TSHRMAPT
SCHEMBL13146781 0.69 DAO (0.42) LMNAALDH1A1EPHX1TSHRMAPT

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-6639109-B1 Reacting amino alcohol with sulfuric acid then reacting resulting amino sulfate with a mercaptan; simple, safe, rapid NIHON NOHYAKU CO., LTD. (JP) 2003-10-28 US disclosed
EP-1216988-A1 THIOALKYLAMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2002-06-26 EP disclosed