SCHEMBL11037037

SCHEMBL11037037

COCC1CCC([C@H]2CC[C@H](C(=O)Oc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ F2 P00734 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.39
▸ PTGIR P43119 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL11130670 0.86 KMT2A (0.49) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11035131 0.85 PTGIR (0.43) KMT2APTGIRPTGDR
SCHEMBL11035132 0.85 PTGIR (0.43) KMT2APTGIRPTGDR
SCHEMBL11035130 0.85 PTGIR (0.43) KMT2APTGIRPTGDR
SCHEMBL11059422 0.85 POLB (0.49) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11059417 0.85 POLB (0.49) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL11059424 0.85 POLB (0.49) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL5352566 0.84 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL5352575 0.84 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL10802459 0.84 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1F2

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
JP-59128354-A — — None — — JP disclosed
JP-S59128354-A CYCLOHEXANECARBOXYLIC ACID HALOGENOPHENYL ESTER DERIVATIVE CHISSO CORP 1984-07-24 — — JP disclosed
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