SCHEMBL10424331

SCHEMBL10424331

CCc1c(C)cccc1S(=O)(=O)O.Cc1ccc(S(=O)(=O)O)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 4/20 0.36
RAPGEF4 Q8WZA2 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NR2F2 P24468 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MYC P01106 1/20 0.34
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
TTR P02766 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP1A2 P05177 2/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL1275170 0.89 RAPGEF4 (0.42) LMNAHSD17B10ALDH1A1RAPGEF4KMT2A
Propane SCHEMBL27725291 0.80 MYC (0.42) LMNAHSD17B10ALDH1A1RAPGEF4KMT2A
SCHEMBL28823816 0.80 MEN1 (0.36) LMNAHSD17B10ALDH1A1RAPGEF4KMT2A
SCHEMBL49341 0.80 KMT2A (0.47) LMNAHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL29498953 0.80 KMT2A (0.47) LMNAHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL29145650 0.78 KMT2A (0.46) LMNAHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL31506947 0.78 MYC (0.46) ALDH1A1RAPGEF4KMT2AMEN1MYC
SCHEMBL27800085 0.78 KMT2A (0.46) LMNAHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL3780 0.78 MYC (0.46) ALDH1A1RAPGEF4KMT2AMEN1MYC
Water SCHEMBL27828657 0.78 KMT2A (0.46) LMNAHSD17B10ALDH1A1KMT2AMEN1

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-4944893-A FOR SEMICONDUCTORS, ACETYLENIC ALCOHOL TOKYO OHKA KOGYO CO., LTD. (JP) 1990-07-31 US claimed