SCHEMBL11268072

SCHEMBL11268072

COP(=O)(OC)C(C)/C(C)=C\C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2983914 0.73 LMNA (0.39) CYP2C19LMNA
SCHEMBL818254 0.73 LMNA (0.39) CYP2C19LMNA
SCHEMBL5514558 0.68
SCHEMBL12215996 0.68
SCHEMBL4826203 0.68
SCHEMBL2978531 0.67 SMN1; SMN2 (0.41) CYP2C19LMNA
SCHEMBL7620707 0.67 LMNA (0.38) CYP2C19LMNA
SCHEMBL6473670 0.67 LMNA (0.38) CYP2C19LMNA
SCHEMBL16612748 0.67 HCAR2 (0.32)
SCHEMBL16612747 0.67 HCAR2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009539-B1 FLUORINATED POLYENES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-12-22 EP disclosed
US-4299995-A ANTITUMOR AGENTS AND TREATMENT OF SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1981-11-10 US disclosed
US-4231944-A 9-FURYL SUBSTITUTED, 4- OR 6-FLUORO DERIVATIVES OF RETINOIC ACID, ANTITUMOR AGENTS, TREATMENT OF ACNE HOFFMANN-LA ROCHE INC. (US) 1980-11-04 US disclosed
EP-0009539-A1 Fluorinated polyenes, their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-04-16 EP disclosed
US-4171318-A 9-(SUBSTITUTED PHENYL), 4 OR 6-FLUORO-RETINOIC ACID DERIVATIVES, ANTITUMOR AND ANTIACNE AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-10-16 US disclosed