SCHEMBL31058464

SCHEMBL31058464

C=C1CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.51
▸ RECQL P46063 2/20 0.43
▸ ICAM1 P05362 1/20 0.43
▸ CYP19A1 P11511 1/20 0.41
▸ CYP3A4 P08684 4/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TAS2R31 P59538 2/20 0.33
▸ TAS2R46 P59540 2/20 0.33
▸ TAS2R10 Q9NYW0 2/20 0.33
▸ SHBG P04278 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13251206 0.84 ATM (0.38) ATMRECQLCYP19A1CYP3A4MEN1
SCHEMBL30613096 0.76 CYP19A1 (0.57) ATMRECQLICAM1CYP19A1CYP3A4
Reynosin SCHEMBL28633984 0.75 PKM (0.51) CYP19A1CYP3A4CYP1A2MEN1ALDH1A1
Reynosin SCHEMBL1683363 0.75 PKM (0.51) CYP19A1CYP3A4CYP1A2MEN1ALDH1A1
Reynosin SCHEMBL1683362 0.75 PKM (0.51) CYP19A1CYP3A4CYP1A2MEN1ALDH1A1
SCHEMBL20877882 0.75 ICAM1 (0.52) ATMRECQLICAM1CYP19A1CYP3A4
SCHEMBL1231104 0.73 KMT2A (0.39) ATMMEN1KMT2A
SCHEMBL29494186 0.68 ATM (1.00) ATMRECQLICAM1CYP19A1CYP3A4
SCHEMBL29363077 0.68 ATM (1.00) ATMRECQLICAM1CYP19A1CYP3A4
Mokko Lactone SCHEMBL30171370 0.65 MEN1 (0.42) ATMRECQLICAM1CYP19A1CYP1A2

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
CN-118304334-A Preparation and application of traditional Chinese medicine fructus rhodomyrti liver protection active ingredient 北京工业大学 2024-07-09 — — CN claimed
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