SCHEMBL17385233

SCHEMBL17385233

CC(C)=CCCC1=CCC2(C)C(=O)OC(=O)C2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.53
PGGT1B P53609 1/20 0.53
FNTB P49356 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
MCL1 Q07820 12/20 0.39
BCL2L1 Q07817 5/20 0.39
BCL2 P10415 9/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.35

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
SCHEMBL18850433 0.78 FNTA (0.46) FNTAPGGT1BFNTBMEN1KMT2A
SCHEMBL10099739 0.70 CYP3A4 (0.35)
SCHEMBL10456239 0.70 MEN1 (0.47) FNTAPGGT1BFNTBMEN1KMT2A
SCHEMBL7706265 0.70 MEN1 (0.50) FNTAPGGT1BFNTBMEN1KMT2A
SCHEMBL11627085 0.70 FNTA (1.00) FNTAPGGT1BFNTBMEN1KMT2A
SCHEMBL7174967 0.68 MEN1 (0.45) FNTAPGGT1BFNTBMEN1KMT2A
SCHEMBL21216948 0.66 FNTA (0.49) FNTAPGGT1BFNTBALDH1A1SMN1; SMN2
SCHEMBL19909836 0.65 ALDH1A1 (0.48) FNTAPGGT1BFNTBMEN1KMT2A
SCHEMBL19909881 0.65 FNTA (0.48) FNTAPGGT1BFNTBMEN1KMT2A
SCHEMBL21105288 0.64 FNTA (1.00) FNTAPGGT1BFNTBMEN1KMT2A

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
US-20170129992-A1 RESIN, COMPOSITION AND USE COVESTRO (NETHERLANDS) B.V. (NL) 2017-05-11 US disclosed
US-20170129992-A1 RESIN, COMPOSITION AND USE COVESTRO (NETHERLANDS) B.V. (NL) 2017-05-11 US disclosed
WO-2015193493-A1 RESIN, COMPOSITION AND USE DSM IP ASSETS B.V. (NL) 2015-12-23 WO disclosed