SCHEMBL11519504

SCHEMBL11519504

CCCC(=O)C1=CC(C)(C)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.34
▸ HPGD P15428 5/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGS1 P23219 2/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL5572872 0.81 PTGS2 (0.32) HPGDALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL11372909 0.77 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL6641316 0.76 OAT (0.37) ALDH1A1TSHRTDP1GABRA1GABRB2
SCHEMBL442745 0.76 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL11373278 0.73 PTPN1 (0.30) —
SCHEMBL14879757 0.72 — —
SCHEMBL14879756 0.72 — —
SCHEMBL8902091 0.71 HDAC4 (0.47) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL14879777 0.70 AKT1 (0.31) ALDH1A1TDP1
SCHEMBL3938618 0.69 HDAC2 (0.48) HSD17B3HPGDALDH1A1ALOX15TSHR

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-4147727-A FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-04-03 — — US disclosed
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