SCHEMBL11059424

SCHEMBL11059424

COCC1CCC(C2CCC(C(=O)Oc3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ PAX8 Q06710 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL11059422 1.00 POLB (0.49) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL11059417 1.00 POLB (0.49) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL11404643 0.89 POLB (0.50) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL8058949 0.86 POLB (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL2829973 0.86 POLB (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL8056318 0.86 POLB (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL12926329 0.85 POLB (0.49) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL11037037 0.85 KMT2A (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11412242 0.84 POLB (0.53) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL28237429 0.84 KMT2A (0.61) POLBHTTKMT2ASMN1; SMN2TDP1

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-59128367-A — — None — — JP disclosed
JP-S59128367-A CYANOPHENYL ESTER DERIVATIVE CHISSO CORP 1984-07-24 — — JP disclosed
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