SCHEMBL10831405

SCHEMBL10831405

CCCC(=O)C1CC=C(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.51
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX15 P16050 4/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ MAPK1 P28482 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TAS2R46 P59540 4/20 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
SCHEMBL4740720 0.86 LMNA (0.55) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL4472607 0.86 LMNA (0.55) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL3921676 0.81 LMNA (0.50) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL30203029 0.79 LMNA (0.61) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL25622935 0.78 LMNA (0.46) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL3930807 0.77 LMNA (0.53) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL2431486 0.76 LMNA (0.51) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL31601392 0.76 LMNA (0.51) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL1037667 0.76 LMNA (0.60) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL12909964 0.76 LMNA (0.66) LMNATSHRALDH1A1NPC1RAB9A

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
US-4604232-A Methyl-substituted cyclohexenyl acetaldehydes, organoleptic uses thereof, processes for producing same and intermediates useful therein INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-08-05 — — US disclosed
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