Sugi Predict

Sugi Predict / Compounds / SCHEMBL9609158

SCHEMBL9609158

SCHEMBL9609158

CC1(C)CCC[C@]2(C)CC3(CC[C@@H]12)COC3

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTPN1 P18031 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
SCHEMBL9609157 0.76 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8534893 0.76 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9609159 0.76 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9883158 0.72 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15874511 0.72 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30885181 0.71 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8512259 0.68 ALDH1A1 (0.31) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9715210 0.68 GAA (0.36) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
Alcohol SCHEMBL5073410 0.67 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19513299 0.66 ALDH1A1 (0.32) ALDH1A1

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-2012069647-A1 NOVEL 1H- SPIRO [NAPHTALENE- 2, 2 ' -OXIRANE] DERIVATIVES GIVAUDAN SA (CH) 2012-05-31 — — WO disclosed