SCHEMBL9946957

SCHEMBL9946957

CC(I)C1=CC2=CCC3[C@@H](C)CCC[C@]3(C)C2CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.47
▸ PDK1 Q15118 2/20 0.47
▸ PDK2 Q15119 2/20 0.47
▸ PDK3 Q15120 2/20 0.47
▸ PDK4 Q16654 2/20 0.47
▸ SLCO1B3 Q9NPD5 1/20 0.47
▸ SLCO1B1 Q9Y6L6 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL6596976 0.91 ALOX15 (0.57) ALOX15ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL11071934 0.71 ALOX15 (0.30) ALOX15ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL131103 0.70 ALOX15 (0.69) ALOX15ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL131104 0.70 ALOX15 (0.69) ALOX15ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL11065471 0.69 ALOX15 (0.72) ALOX15ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL18431213 0.69 ALOX15 (0.72) ALOX15ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL6596970 0.69 ALOX15 (0.58) ALOX15ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL11074810 0.69 ALOX15 (0.58) ALOX15ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL814266 0.69 ALOX15 (0.72) ALOX15ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL19696489 0.67 ALOX15 (0.72) ALOX15ALDH1A1LMNAMAPK1HSD17B10

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
WO-2012078667-A2 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-14 — — WO disclosed
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