SCHEMBL31425405

SCHEMBL31425405

CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(CCO)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 15/20 0.45
▸ CYP2D6 P10635 13/20 0.45
▸ CYP1A2 P05177 7/20 0.45
▸ CYP2C9 P11712 4/20 0.45
▸ USP2 O75604 3/20 0.45
▸ CYP2C19 P33261 2/20 0.44
▸ TSHR P16473 8/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ SCD5 Q86SK9 1/20 0.40
▸ RORC P51449 1/20 0.39

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
SCHEMBL20521136 0.95 CYP2D6 (0.42) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL20328229 0.87 CYP3A4 (0.46) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL15285018 0.87 CYP11B2 (0.46) CYP2D6USP2SCD5RORC
SCHEMBL23763011 0.86 CYP2D6 (0.50) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL30902689 0.85 USP2 (0.44) USP2TSHRSCD5RORC
SCHEMBL20382070 0.83 CYP11B2 (0.43) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL18389855 0.82 CYP3A4 (0.59) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL20962658 0.82 SCD5 (0.46) CYP3A4CYP2D6CYP1A2CYP2C9USP2
SCHEMBL28891307 0.82 CYP4F2 (0.41) USP2SCD5RORC
SCHEMBL18390387 0.81 CYP3A4 (0.50) CYP3A4CYP2D6CYP1A2CYP2C9USP2

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-2025019599-A2 BIFUNCTIONAL KINASE BINDING COMPOUNDS AND USES THEREOF PHOTYS THERAPEUTICS, INC. (US) 2025-01-23 — — WO disclosed
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