SCHEMBL8995872

SCHEMBL8995872

CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(OC(=O)c2ccccc2)c(C(C)(C)CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 5/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 1/20 0.38
IGF2BP2 Q9Y6M1 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.34
RARG P13631 2/20 0.34

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
SCHEMBL10950078 0.88 RAB9A (0.46) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11542187 0.85 MAPK13 (0.41) GAANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11542147 0.84 ALDH1A1 (0.36) KMT2AGAANPC1RAB9AMAPT
SCHEMBL9870052 0.82 ALDH1A1 (0.35) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14594273 0.82 KDM4E (0.39) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11541586 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL29350743 0.77 NPC1 (0.45) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL39146 0.77 NPC1 (0.45) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11592819 0.77 KDM4E (0.37) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11457333 0.76 NPC1 (0.44) KMT2ANPC1RAB9AMAPTSMN1; SMN2

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-0466279-B1 Random copolymer and process for production thereof MITSUI PETROCHEMICAL IND (JP) 1996-08-28 EP disclosed