SCHEMBL19073469

SCHEMBL19073469

CC12C=CC(=O)C=C1CCC1C2CCC2(C)C1CC[C@]21CCCC1=O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ CYP19A1 P11511 12/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ HSD17B10 Q99714 2/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ TNF P01375 1/20 0.47
▸ NR3C1 P04150 1/20 0.47
▸ IL6 P05231 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ SERPINA6 P08185 1/20 0.47
▸ NR3C2 P08235 1/20 0.47
▸ AR P10275 1/20 0.47
▸ GLUL P15104 1/20 0.47
▸ ADAM17 P78536 1/20 0.47
▸ GPBAR1 Q8TDU6 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 1/20 0.47

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
SCHEMBL14962034 1.00 LMNA (0.67) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL13259847 1.00 LMNA (0.67) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL11650163 0.93 LMNA (0.70) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL17775770 0.83 LMNA (0.77) LMNAMAPTCYP19A1CYP3A4
SCHEMBL27046927 0.82 LMNA (0.72) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL27046925 0.82 LMNA (0.72) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL17852532 0.82 LMNA (0.65) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL6703601 0.82 LMNA (0.65) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL27046922 0.82 LMNA (0.75) LMNAMAPTCYP19A1CYP3A4HSD17B10
Methandrostenolone SCHEMBL4435272 0.81 LMNA (1.00) LMNAMAPTCYP19A1CYP3A4HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3238781-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF FLUID ACCUMULATION IN AND/ OR UNDER THE RETINA INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-11-01 — — EP disclosed
EP-2977084-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF FLUID ACCUMULATION IN AND/ OR UNDER THE RETINA INSERM (INSTITUT NAT DE LA SANTÉ ET DE LA RECH MÉDICALE) (FR) 2017-07-05 — — EP disclosed
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