SCHEMBL22892115

SCHEMBL22892115

C[C@@H]1CC[C@@]2(C)C(CC[C@H]2C)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL695132 0.69 — —
SCHEMBL24843687 0.69 — —
SCHEMBL23170075 0.69 — —
SCHEMBL598337 0.61 — —
SCHEMBL13561709 0.58 TRPA1 (0.32) —
SCHEMBL22504293 0.58 PTPN1 (0.36) ALDH1A1
SCHEMBL7583136 0.58 PTPN1 (0.36) ALDH1A1
SCHEMBL5760574 0.58 — —
SCHEMBL135915 0.58 — —
SCHEMBL9659084 0.58 — —

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-2021004614-A1 BIOTECHNOLOGICAL PRODUCTION OF DIOLS SYMRISE AG (DE) 2021-01-14 — — WO disclosed
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