SCHEMBL27308320

SCHEMBL27308320

Cc1cccc2c1CCc1cc(C(C)C)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ PARP1 P09874 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ MIF P14174 1/20 0.35
▸ CYP19A1 P11511 2/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33

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
SCHEMBL597121 0.86 LMNA (0.46) LMNATRPA1PTGS1CACNA1CPDK2
SCHEMBL20055113 0.81 LMNA (0.52) LMNATRPA1PTGS1CACNA1CMIF
SCHEMBL30688303 0.73 LMNA (0.46) LMNAPARP1PARP10PARP11TRPA1
SCHEMBL29101381 0.73 LMNA (0.46) LMNAPARP1PARP10PARP11TRPA1
SCHEMBL28167322 0.72 HSP90AA1 (0.41) LMNAPDK2HPGDCYP17A1NPSR1
SCHEMBL4473883 0.69 LMNA (0.52) LMNATRPA1PTGS1CACNA1CPDK2
SCHEMBL1856486 0.69 HSD17B10 (0.53) LMNAMIFCYP11B1CYP11B2KDM4E
SCHEMBL19383233 0.69 CYP17A1 (0.57) LMNAPDK2KDM4EALDH1A1MAPT
SCHEMBL12545876 0.69 LMNA (0.48) LMNATRPA1PTGS1CACNA1CMIF
SCHEMBL24102223 0.69 LMNA (0.47) LMNATRPA1PTGS1CACNA1CMIF

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
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 — — CN disclosed
CN-85107531-A Process for producing vinyl chloride polymer — 1987-01-21 — — CN disclosed
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