SCHEMBL11233121

SCHEMBL11233121

CCOCn1ccnc1C(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL11233228 0.88 ALDH1A1 (0.43) PPARGPPARACYP1A2CYP3A4CYP2C9
SCHEMBL2719494 0.77 PPARG (0.51) PPARGPPARACYP1A2CYP3A4CYP2C9
SCHEMBL11230485 0.74 LMNA (0.54) PPARGPPARAALDH1A1LMNANPSR1
SCHEMBL11230464 0.74 LMNA (0.54) PPARGPPARAALDH1A1LMNANPSR1
SCHEMBL27265900 0.73 ALDH1A1 (0.40) PPARGPPARACYP1A2CYP3A4CYP2C9
SCHEMBL6579557 0.72 RAB9A (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL11669666 0.69 LDHA (0.47) CYP3A4RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2513945 0.69 KMT2A (0.53) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL30554031 0.69 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9498449 0.67 SMN1; SMN2 (0.41) CYP1A2CYP3A4CYP2C9PKMCYP2C19

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-4324792-A SKIN DISORDERS, HAY FEVER, ASTHMA GLAXO GROUP LIMITED (GB) 1982-04-13 US disclosed