SCHEMBL2713232

SCHEMBL2713232

CC(C)Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ALOX5 P09917 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
NR1I3 Q14994 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
CXCL8 P10145 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C2 P52895 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL284111 0.83 PTGS1 (0.45) PTGS1PTGS2LMNACYP2C9AKR1C3
Hydrochloric Acid SCHEMBL9176923 0.81 PTGS1 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
Bromide SCHEMBL9178738 0.81 PTGS1 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL29999331 0.81 PTGS1 (0.40) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL1462419 0.79 SMN1; SMN2 (0.31)
SCHEMBL969964 0.77 CNR2 (0.33) PTGS2CYP2C9TAAR1CYP2D6
SCHEMBL361556 0.76 PTGS1 (0.40) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL3819189 0.75 HSD11B1 (0.46) LMNAESR1RARBADRB3HTR2A
SCHEMBL62199 0.74 ALDH1A1 (0.35)
SCHEMBL12748731 0.74 PTGS1 (0.43) PTGS1PTGS2LMNACYP2C9AKR1C3

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
WO-2012074749-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 2012-06-07 WO disclosed
WO-2012054254-A2 ON-PRESS DEVELOPABLE LITHOGRAPHIC PRINTING PLATE PRECURSORS EASTMAN KODAK COMPANY (US) 2012-04-26 WO disclosed