SCHEMBL331081

SCHEMBL331081

CCS(=O)(=O)O.CC[N+](CC)(CC)Cc1ccccc1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

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
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNA7 P36544 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
TAS2R10 Q9NYW0 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CCR5 P51681 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
Sulfuric Acid SCHEMBL2909992 0.94 CYP1A2 (0.46) CYP1A2KDM4EALDH1A1TDP1CHRNA7
SCHEMBL330402 0.92 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1TDP1CHRNA7
Sulfuric Acid SCHEMBL27570806 0.92 CYP1A2 (0.45) CYP1A2KDM4EALDH1A1TDP1CHRNA7
Sulfuric Acid SCHEMBL782175 0.91 CYP1A2 (0.44) CYP1A2KDM4EALDH1A1TDP1CHRNA7
Thiosulfuric Acid SCHEMBL8422607 0.91 CYP1A2 (0.44) CYP1A2KDM4EALDH1A1TDP1CHRNA7
Ammonia Solution, Strong SCHEMBL27995410 0.91 CYP1A2 (0.48) CYP1A2KDM4EALDH1A1TDP1CHRNA7
SCHEMBL330889 0.90 CYP1A2 (0.41) CYP1A2KDM4EALDH1A1TDP1CHRNA7
Sulfuric Acid SCHEMBL27810236 0.89 CYP1A2 (0.43) CYP1A2KDM4EALDH1A1TDP1CHRNA7
Sulfuric Acid SCHEMBL10541168 0.89 KDM4E (0.44) CYP1A2KDM4EALDH1A1TDP1CHRNA7
Sulfuric Acid SCHEMBL27570804 0.87 CYP1A2 (0.42) CYP1A2KDM4EALDH1A1TDP1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
CN-102977309-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSU CHEMICALS INC 2015-04-15 CN disclosed
US-8304507-B2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2012-11-06 US disclosed
EP-2407498-A2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material Mitsui Chemicals, Inc. (JP) 2012-01-18 EP disclosed
US-20110112269-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-05-12 US disclosed
EP-2295484-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2011-03-16 EP disclosed