SCHEMBL9226752

SCHEMBL9226752

CC(C)(C)c1ccc(NC(=O)N(Cc2ccc3c(c2)Cc2ccccc2-3)C2CCCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
UBE2M P61081 8/20 0.50
DCUN1D1 Q96GG9 8/20 0.50
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 3/20 0.45
GCGR P47871 2/20 0.45
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX1 P07099 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
SCHEMBL9225707 0.82 ALDH1A1 (0.45) RAB9AUBE2MDCUN1D1ALDH1A1SMN1; SMN2
SCHEMBL4106190 0.81 NPSR1 (0.45) RAB9AUBE2MDCUN1D1ALDH1A1SMN1; SMN2
SCHEMBL29427715 0.81 NPSR1 (0.45) RAB9AUBE2MDCUN1D1ALDH1A1SMN1; SMN2
SCHEMBL9227832 0.81 NPSR1 (0.45) RAB9AUBE2MDCUN1D1ALDH1A1SMN1; SMN2
SCHEMBL9219992 0.81 SMN1; SMN2 (0.45) RAB9AUBE2MDCUN1D1ALDH1A1SMN1; SMN2
SCHEMBL9225885 0.80 UBE2M (0.51) UBE2MDCUN1D1ALDH1A1SMN1; SMN2TP53
SCHEMBL9222967 0.79 ALDH1A1 (0.41) UBE2MDCUN1D1ALDH1A1SMN1; SMN2TP53
SCHEMBL9218431 0.79 ALDH1A1 (0.41) UBE2MDCUN1D1ALDH1A1SMN1; SMN2TP53
SCHEMBL9537623 0.78 ALDH1A1 (0.42) RAB9AUBE2MDCUN1D1ALDH1A1TP53
SCHEMBL9258238 0.76 DCUN1D1 (0.59) UBE2MDCUN1D1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420348-A Enzyme inhibitors YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0447116-B1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMA CO LTD (JP) 1994-12-14 EP disclosed
US-5258405-A Acetyl coenzyme A cholesterol acetyltransferase inhibitors for cardiovascular disorders and atherosclerosis and antilipemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
EP-0447116-A1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-09-18 EP disclosed