SCHEMBL8643133

SCHEMBL8643133

CC(C)([S+]=O)C(=O)c1ccccc1.CCC(C)OB([O-])Oc1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.34
PPARG P37231 3/20 0.34
CNR1 P21554 7/20 0.34
CNR2 P34972 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
CCR1 P32246 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ELANE P08246 1/20 0.32
FABP2 P12104 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
ABCB11 O95342 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
SCHEMBL8643131 0.75 ATM (0.35) PPARAMEN1KMT2ALMNAMAPT
SCHEMBL8757315 0.73 CCR1 (0.36) PPARAPPARGCNR1CNR2CCR1
SCHEMBL7106541 0.69 CES1 (0.50) MEN1KMT2ATSHRLMNACYP3A4
Bromide SCHEMBL8757385 0.67 CES1 (0.48) TSHRCYP3A4MAPTCYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL7105468 0.67 CES1 (0.48) MEN1KMT2ATSHRCYP3A4MAPT
Hydrochloric Acid SCHEMBL11222100 0.67 CES1 (0.48) TSHRCYP3A4MAPTCYP2C19ALDH1A1
SCHEMBL8756240 0.63 CES1 (0.48) TSHRCYP3A4MAPTCYP2C19ALDH1A1
SCHEMBL11512979 0.63 PPARA (0.57) PPARAPPARGCNR1CNR2MEN1
SCHEMBL11512099 0.62 PPARA (0.50) PPARAPPARGCNR1CNR2MEN1
SCHEMBL11530819 0.62 MAP4K4 (0.47) PPARAPPARGMEN1KMT2AALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690074-B1 Photopolymerization initiator composition and photopolymerizable composition TOYO INK MFG CO (JP) 1998-09-02 EP disclosed
US-5631307-A SULFONIUM ORGANOBORON COMPLEX OR OXOSULFONIUM ORGANOBORON COMPLEX WITH SENSITIZERS TOYO INK MANUFACTURING CO., LTD. (JP) 1997-05-20 US disclosed
EP-0690074-A1 Photopolymerization initiator composition and photopolymerizable composition TOYO INK MANUFACTURING CO., LTD. (JP) 1996-01-03 EP disclosed