SCHEMBL10484530

SCHEMBL10484530

CC(=O)Oc1ccc([P+](CCOCC[P+](c2ccccc2)(c2ccccc2)c2ccc(OC(C)=O)cc2)(c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.42
POLB P06746 3/20 0.42
PKM P14618 1/20 0.42
PTGS2 P35354 3/20 0.39
PTGES O14684 1/20 0.38
KMT2A Q03164 3/20 0.38
ELANE P08246 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL10484475 0.93 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL10484552 0.86 ALDH1A1 (0.51) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL10484468 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL9634069 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL9633444 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL6232589 0.78 ALDH1A1 (0.40) ALDH1A1LMNAPOLBKMT2ASMN1; SMN2
SCHEMBL9635318 0.78 LMNA (0.57) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL9634534 0.78 HIF1A (0.52) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10484490 0.76 HIF1A (0.43) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL10484434 0.74 TDP1 (0.49) ALDH1A1LMNAMAPTPOLBKMT2A

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-4855396-A BINDER/CHARGE AGENT IN ELECTROSTATOGRAPHIC TONER PARTICLES EASTMAN KODAK COMPANY (US) 1989-08-08 US disclosed
US-4837394-A CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1989-06-06 US disclosed