SCHEMBL16270322

SCHEMBL16270322

CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(C)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 5/20 0.81
▸ PPIB P23284 3/20 0.81
▸ PPIG Q13427 2/20 0.81
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PPIA P62937 1/20 0.45
▸ CYP2C19 P33261 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL12643824 0.90 PPID (1.00) PPIDPPIBPPIGSMN1; SMN2NPC1
SCHEMBL12643823 0.83 PPIB (0.76) PPIDPPIBPPIGSMN1; SMN2PPIA
SCHEMBL2036394 0.79 PPID (0.80) PPIDPPIBPPIGKMT2ALMNA
SCHEMBL13049648 0.78 SMN1; SMN2 (1.00) PPIDSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2037853 0.78 PPIB (0.77) PPIDPPIBPPIGKMT2AHPGD
SCHEMBL2038750 0.78 PPIB (0.77) PPIDPPIBPPIGMEN1KMT2A
SCHEMBL2037877 0.78 PPID (0.73) PPIDPPIBPPIGSMN1; SMN2MEN1
SCHEMBL2034561 0.77 PPIB (0.76) PPIDPPIBPPIGSMN1; SMN2MEN1
SCHEMBL19882150 0.77 PPID (0.58) PPIDPPIBPPIGSMN1; SMN2MEN1
SCHEMBL14617669 0.77 SMN1; SMN2 (0.68) PPIDPPIBPPIGSMN1; SMN2MEN1

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-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 — — US disclosed
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