SCHEMBL16398866

SCHEMBL16398866

CC(C)(C)CC[C@@H]1C=CCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16398869 1.00 USP2 (0.31) USP2ALDH1A1ALOX15TDP1
SCHEMBL16398975 0.85 ALDH1A1 (0.33) USP2ALDH1A1ALOX15TDP1
SCHEMBL16398973 0.85 ALDH1A1 (0.33) USP2ALDH1A1ALOX15TDP1
SCHEMBL8199466 0.80 USP2 (0.33) USP2ALDH1A1ALOX15TDP1
SCHEMBL27449757 0.80 — —
SCHEMBL1534059 0.79 — —
SCHEMBL16398536 0.77 — —
SCHEMBL1525333 0.77 USP2 (0.30) USP2ALDH1A1ALOX15TDP1
SCHEMBL1524549 0.77 — —
SCHEMBL12617590 0.76 — —

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-2015008097-A1 ASYMMETRIC SYNTHESIS OF CHIRAL COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-01-22 — — WO disclosed
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