SCHEMBL9516934

SCHEMBL9516934

CCCCN1CCOCC1.Cc1cc(C)c(S(=O)(=O)O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
THRB P10828 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
SCN1A P35498 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN2A Q99250 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SCN3A Q9NY46 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL9518191 0.81 MEN1 (0.55) NPC1ALDH1A1MAPK1KMT2ACYP1A2
SCHEMBL9518528 0.80 TSHR (0.49) THRBALDH1A1MAPK1KMT2ACYP1A2
SCHEMBL9516735 0.78 LMNA (0.48) THRBALDH1A1MAPK1KMT2ACYP1A2
Ammonia Solution, Strong SCHEMBL27762705 0.78 MEN1 (0.52) NPC1THRBALDH1A1MAPK1KMT2A
SCHEMBL9520350 0.77 KMT2A (0.58) ALDH1A1MAPK1MAPTKMT2ACYP1A2
Ammonia Solution, Strong SCHEMBL27204552 0.74 ALDH1A1 (0.59) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Ammonia Solution, Strong SCHEMBL27742172 0.74 PAOX (0.50) THRBALDH1A1MAPK1CYP1A2CHRM2
Sulfuric Acid SCHEMBL11617550 0.74 PAOX (0.49) THRBALDH1A1MAPK1CYP1A2CHRM2
Sulfuric Acid SCHEMBL11504491 0.74 PAOX (0.49) THRBALDH1A1MAPK1CYP1A2CHRM2
Sulfuric Acid SCHEMBL11504487 0.74 PAOX (0.49) THRBALDH1A1MAPK1CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252875-B1 MICROBICIDAL AGENT CIBA-GEIGY AG (CH) 1993-01-27 EP claimed