SCHEMBL12848997

SCHEMBL12848997

C[C@@H]1C[C@H](O)C[C@@]2(C)OC(=O)C=C12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.37
▸ CYP19A1 P11511 2/20 0.33
▸ SHBG P04278 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ PMP22 Q01453 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
Loliolide SCHEMBL789415 0.71 ACHE (0.53) ACHE
Loliolide SCHEMBL10181773 0.71 ACHE (0.53) ACHE
Loliolide SCHEMBL16057196 0.71 ACHE (0.53) ACHE
SCHEMBL15507620 0.67 PTPN1 (0.34) LMNANPC1GMNNMTORRAB9A
SCHEMBL8378487 0.65 ENO1 (0.32) —
SCHEMBL8165368 0.65 ENO1 (0.32) —
SCHEMBL7838483 0.65 ENO1 (0.32) —
SCHEMBL8677887 0.65 ENO1 (0.32) —
SCHEMBL5713354 0.65 ENO1 (0.32) —
SCHEMBL6720724 0.65 ENO1 (0.32) —

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
US-7902384-B2 Estrogenic-active compounds and application thereof NATIONAL TAIWAN UNIVERSITY (TW) 2011-03-08 — — US disclosed
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