SCHEMBL8743875

SCHEMBL8743875

CCc1cccc2c(C)c(C)c(C)c(CC)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.39
▸ GABRB2 P47870 4/20 0.39
▸ ELANE P08246 2/20 0.37
▸ HTT P42858 2/20 0.35
▸ NPEPPS P55786 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL9576864 0.92 GABRA1 (0.39) GABRA1GABRB2ELANEHTTNPEPPS
SCHEMBL9576829 0.78 GABRA1 (0.43) GABRA1GABRB2ELANEHTTNPEPPS
SCHEMBL8743877 0.73 TP53 (0.40) HTTALDH1A1LMNAMEN1MAPT
SCHEMBL8963057 0.72 ELANE (0.38) GABRA1GABRB2ELANEHTTALDH1A1
SCHEMBL9770091 0.70 GABRA1 (0.48) GABRA1GABRB2ELANEHTTNPEPPS
SCHEMBL6232528 0.70 GABRA1 (0.48) GABRA1GABRB2ELANEHTTNPEPPS
SCHEMBL17796296 0.69 GABRA1 (0.35) GABRA1GABRB2ELANEALDH1A1LMNA
SCHEMBL245773 0.69 GABRA1 (0.57) GABRA1GABRB2MAPTKCNH2SCN5A
SCHEMBL599099 0.69 GABRA1 (0.57) GABRA1GABRB2ELANEMAPTTSHR
SCHEMBL3238496 0.69 GABRA1 (0.57) GABRA1GABRB2HTTNPEPPSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481360-B1 Process for producing alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL IND (JP) 1997-01-15 — — EP disclosed
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 — — US disclosed
EP-0481360-A2 Process for producing alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-22 — — EP disclosed
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