SCHEMBL29862095

SCHEMBL29862095

COc1cc2c(c(O)c1C/C=C(\C)CC/C=C(\C)C(=O)O)COC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 17/20 0.56
▸ IMPDH1 P20839 7/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ UGT2B7 P16662 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PPARG P37231 2/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.46
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL29861918 1.00 IMPDH2 (0.56) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL30190118 0.90 IMPDH2 (0.54) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL21973112 0.82 IMPDH2 (0.56) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL21003527 0.80 IMPDH2 (0.50) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL29862038 0.80 IMPDH2 (0.50) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL15828325 0.79 IMPDH2 (0.49) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL30190230 0.79 IMPDH2 (0.49) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL21973052 0.76 POLB (0.46) IMPDH2IMPDH1KDM4EALDH1A1CYP3A4
Hericenone J SCHEMBL15828327 0.73 IMPDH2 (0.77) IMPDH2IMPDH1KDM4EALDH1A1LMNA
Hericenone J SCHEMBL29862379 0.73 IMPDH2 (0.77) IMPDH2IMPDH1KDM4EALDH1A1LMNA

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-2022187973-A1 DOSING REGIMENS OF PHARMACEUTICAL AND NUTRACEUTICAL MUSHROOM AND CANNABIS COMPOSITIONS AND THEIR USE TO TREAT CNS DISORDERS AND IMPROVE MENTAL HEALTH ALLIED CORP. (CA) 2022-09-15 — — WO disclosed
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