SCHEMBL8008447

SCHEMBL8008447

CCOC(=O)C1Cc2ccc(C(C)(C)C)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
LGMN Q99538 1/20 0.39
RECQL P46063 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
SCHEMBL15823733 0.79 KDM4E (0.49) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL794501 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31537552 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8014430 0.79 TRPV1 (0.40) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL10529585 0.78 CYP4F2 (0.54) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9370726 0.78 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16836044 0.78 KDM4E (0.56) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30047263 0.78 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL259951 0.78 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL795671 0.77 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103688-A TERT-BUTYL SUBSTITUTED INDAN DERIVATIVES FIRMENICH SA (CH) 2000-08-15 US disclosed
US-5552379-A FLORAL, FOR COSMETICS AND HOUSEHOLD ITEMS FIRMENICH SA (CH) 1996-09-03 US disclosed