SCHEMBL9003385

SCHEMBL9003385

CC(C)(C)c1ccc(C(=CCS)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 3/20 0.41
TYR P14679 1/20 0.41
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9003485 0.77 HDAC1 (0.44) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL1746901 0.74 APP (0.42) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL1746899 0.74 APP (0.42) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL9003461 0.72 BCL2L1 (0.53) ALDH1A1MAPTLMNAMAPK1ALOX15
SCHEMBL2326873 0.72 MTNR1A (0.47) ALDH1A1L3MBTL1
SCHEMBL28031837 0.69 HDAC1 (0.48) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL4885770 0.68 PDE4A (0.50) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL14034084 0.68 SRD5A2 (0.55) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL292571 0.68 LMNA (0.57) HDAC1RAB9AALDH1A1NPC1MEN1
SCHEMBL25907927 0.67 SRD5A2 (0.54) HDAC1RAB9AALDH1A1NPC1MEN1

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed