SCHEMBL8413216

SCHEMBL8413216

Cc1cc(C)cc(NC(=O)CC(C)(COc2ccccc2)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 6/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL8413212 0.72 KMT2A (0.46) MAPK1KMT2ANPC1RAB9ATP53
SCHEMBL5266201 0.72 PPARA (0.48) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL17662382 0.72 PPARA (0.46) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL2701228 0.72 MAPK1 (0.56) MAPK1KMT2ANPC1RAB9ATP53
SCHEMBL27871203 0.68 KMT2A (0.73) KMT2ANPC1RAB9ATP53MEN1
SCHEMBL3984703 0.68 ALDH1A1 (0.63) MAPK1KMT2ARAB9ATP53MEN1
SCHEMBL5724626 0.66 PPARA (0.58) CYP2C9
SCHEMBL6650154 0.66 KMT2A (0.68) MAPK1KMT2ANPC1RAB9ATP53
SCHEMBL8042023 0.66 KMT2A (0.51) MAPK1KMT2ANPC1RAB9ATP53
Efaproxiral SCHEMBL1649963 0.66 PPARA (0.54) KMT2ARAB9AMEN1HPGDKDM4E

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-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 — — US disclosed
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