SCHEMBL5445839

SCHEMBL5445839

CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD11B1 P28845 4/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B2 P37059 2/20 0.42
HSD17B3 P37058 1/20 0.42
UQCRB P14927 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOA P21397 1/20 0.40
NR3C2 P08235 1/20 0.40
MAPT P10636 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ACHE P22303 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
SCHEMBL451538 0.98 ALDH1A1 (0.46) ALDH1A1HSD11B1NPC1RAB9ARECQL
SCHEMBL3140895 0.91 LMNA (0.50) ALDH1A1HSD11B1NPC1RAB9ARECQL
SCHEMBL452979 0.91 LMNA (0.50) ALDH1A1HSD11B1NPC1RAB9ARECQL
SCHEMBL7741655 0.91 NR3C2 (0.50) ALDH1A1HSD11B1NPC1RAB9ARECQL
SCHEMBL3134860 0.89 HSD11B1 (0.42) ALDH1A1HSD11B1NPC1RAB9ARECQL
SCHEMBL3134793 0.89 HSD11B1 (0.42) ALDH1A1HSD11B1NPC1RAB9ARECQL
SCHEMBL3693052 0.89 HSD11B1 (0.43) ALDH1A1HSD11B1NPC1RAB9ARECQL
SCHEMBL7578509 0.88 ALDH1A1 (0.44) ALDH1A1HSD11B1NPC1RAB9ARECQL
SCHEMBL7738770 0.87 ALDH1A1 (0.43) ALDH1A1HSD11B1NPC1RAB9ARECQL
SCHEMBL7741631 0.87 MAOA (0.43) ALDH1A1HSD11B1NPC1RAB9ARECQL

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-20070275327-A1 PHOTOSENSITIVE RESIN COMPOSITION, RESIST PATTERN FORMING METHOD, SUBSTRATE PROCESSING METHOD, AND DEVICE MANUFACTURING METHOD CANON KABUSHIKI KAISHA (JP) 2007-11-29 US disclosed
US-20050221222-A1 Photosensitive resin composition, resist pattern forming method, substrate processing method, and device manufacturing method CANON KABUSHIKI KAISHA (JP) 2005-10-06 US disclosed