SCHEMBL10439760

SCHEMBL10439760

CCc1ccccc1Nc1c(Cl)cc(OCc2ccccc2)c(OC)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLCN2 P51788 8/20 0.52
▸ CHRM4 P08173 1/20 0.52
▸ CHRM3 P20309 1/20 0.52
▸ CTSV O60911 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ P2RX7 Q99572 2/20 0.41
▸ CAMK2A Q9UQM7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 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
SCHEMBL7161965 0.89 CAMK2A (0.57) CLCN2CHRM4CHRM3CTSVCTSL
SCHEMBL10439762 0.86 CLCN2 (0.50) CLCN2CHRM4CHRM3CTSVCTSL
SCHEMBL7166218 0.81 CAMK2A (0.57) CLCN2CHRM4CHRM3CTSVCTSL
SCHEMBL10439643 0.78 BRD4 (0.52) CLCN2CHRM4CHRM3KDM4EALDH1A1
SCHEMBL10439653 0.78 CLCN2 (0.42) CLCN2CHRM4CHRM3CTSVCTSL
SCHEMBL7582466 0.74 F2 (0.46) CLCN2CHRM4CHRM3CTSVCTSL
SCHEMBL10439814 0.73 HTR1A (0.44) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7161922 0.70 CAMK2A (0.64) CLCN2CAMK2ACYP2C9PTGS2KMT2A
SCHEMBL24021540 0.68 CLCN2 (1.00) CLCN2CHRM4CHRM3CTSVCTSL
3'-Hydroxy-4'-Methoxy-Diclofenac SCHEMBL7160787 0.68 CAMK2A (0.64) CLCN2CAMK2ACYP2C9PTGS2KMT2A

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-0377896-A2 Cyclooxygenase and 5-lipoxygenase inhibiting hydroxamic acid derivatives CIBA-GEIGY AG (CH) 1990-07-18 — — EP disclosed
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