SCHEMBL19073470

SCHEMBL19073470

CC12CCC3C4C=CC(=O)C=C4CCC3C1CC[C@@]21CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ PGR P06401 4/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ ABCB11 O95342 3/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ NR3C1 P04150 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ AR P10275 2/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ CYP19A1 P11511 2/20 0.36
▸ CHRM2 P08172 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL11017258 0.76 CYP19A1 (0.60) LMNACYP3A4ALDH1A1TSHRSHBG
SCHEMBL24476668 0.76 CYP3A4 (0.66) LMNACYP3A4PGRCYP2C19ABCB11
SCHEMBL3652905 0.75 CYP19A1 (0.53) ALDH1A1SHBGCYP19A1
SCHEMBL14962034 0.74 LMNA (0.67) LMNACYP3A4PGRCYP2C19ABCB11
SCHEMBL13259847 0.74 LMNA (0.67) LMNACYP3A4PGRCYP2C19ABCB11
SCHEMBL19073469 0.74 LMNA (0.67) LMNACYP3A4PGRCYP2C19ABCB11
SCHEMBL11801563 0.71 CYP19A1 (0.64) LMNACYP3A4PGRCYP2C19ABCB11
SCHEMBL6437488 0.71 SHBG (0.62) LMNACYP3A4PGRESR1NR3C1
SCHEMBL30944712 0.68 CYP19A1 (0.32) ALDH1A1SHBGCYP19A1
SCHEMBL11650163 0.67 LMNA (0.70) LMNACYP3A4PGRCYP2C19ABCB11

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
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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