SCHEMBL9501252

SCHEMBL9501252

NC(=O)NCC1(O)CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.41
HDAC9 Q9UKV0 1/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
AKR1B1 P15121 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9499984 0.91 HDAC9 (0.42) KDM1AHDAC9
SCHEMBL1333907 0.78 KDM1A (0.47) KDM1AMEN1KMT2AAKR1B1CYP1A2
SCHEMBL5474666 0.76 KDM1A (0.43) KDM1AHDAC9MEN1KMT2AAKR1B1
SCHEMBL11079679 0.75 KDM1A (0.45) KDM1AMEN1KMT2AAKR1B1CYP1A2
SCHEMBL9499543 0.75 SOAT1 (0.53) MEN1KMT2A
SCHEMBL19130231 0.74 KDM1A (0.47) KDM1AMEN1KMT2AAKR1B1CYP1A2
SCHEMBL6691850 0.74 KDM1A (0.47) KDM1AMEN1KMT2AAKR1B1CYP1A2
SCHEMBL7960703 0.74 KDM1A (0.44) KDM1AMEN1KMT2AAKR1B1CYP1A2
SCHEMBL10637900 0.73 KDM1A (0.46) KDM1AHDAC9MEN1KMT2AAKR1B1
SCHEMBL4420303 0.72 SIGMAR1 (0.49) KDM1AMEN1KMT2ACYP1A2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP claimed
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP disclosed