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SCHEMBL21656992

SCHEMBL21656992

C=C(C)C(=O)Nc1ccc(OC(=O)NC(C)COC(C)(C)CC(CC(C)(C)OCC)(CC(C)(C)OCCC(C)(C)NC(=O)Oc2ccc(NC(=O)C(=C)C)cc2)CC(C)(C)OCCC(C)(C)NC(=O)Oc2ccc(NC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.33
▸ FAAH O00519 7/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL21656701 0.93 RXFP1 (0.33) RXFP1FAAHALDH1A1MEN1LMNA
SCHEMBL24489623 0.91 FAAH (0.36) RXFP1FAAHALDH1A1MEN1LMNA
SCHEMBL20808498 0.90 RXFP1 (0.35) RXFP1FAAHALDH1A1MEN1LMNA
SCHEMBL21948654 0.89 FAAH (0.35) RXFP1FAAHALDH1A1MEN1LMNA
SCHEMBL20204431 0.88 FAAH (0.37) RXFP1FAAHALDH1A1MEN1LMNA
SCHEMBL21561029 0.88 RXFP1 (0.37) RXFP1FAAHALDH1A1MEN1LMNA
SCHEMBL21561127 0.86 FAAH (0.40) RXFP1FAAHALDH1A1MEN1LMNA
SCHEMBL20808479 0.85 RXFP1 (0.35) RXFP1FAAHALDH1A1MEN1LMNA
SCHEMBL24489733 0.83 FAAH (0.31) RXFP1FAAH
SCHEMBL21023276 0.82 RXFP1 (0.36) RXFP1FAAHALDH1A1MEN1LMNA

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-10543295-B2 Particles MICROVENTION, INC. (US) 2020-01-28 — — US disclosed