SCHEMBL10065739

SCHEMBL10065739

CC(C)=CC(C(=O)Oc1ccc(C#N)cc1)=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
F2 P00734 1/20 0.40
TP53 P04637 3/20 0.40
POLB P06746 2/20 0.40
THRB P10828 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL12058676 0.81 ELANE (0.40) MAPTALDH1A1POLBTHRBLMNA
SCHEMBL14367088 0.79 MAPT (0.50) MGLLMAPTALDH1A1F2TP53
SCHEMBL6670976 0.79 MAPT (0.53) MGLLMAPTALDH1A1F2TP53
SCHEMBL10065783 0.78 TSHR (0.43) MAPTALDH1A1CYP11B1CYP11B2RAB9A
SCHEMBL14367097 0.78 PARP15 (0.53) MGLLMAPTALDH1A1F2POLB
SCHEMBL10282082 0.77 MAPT (0.46) MAPTALDH1A1POLBTHRBLMNA
SCHEMBL447166 0.76 ELANE (0.54) MGLLMAPTALDH1A1F2TP53
SCHEMBL337646 0.75 LMNA (0.57) MGLLMAPTALDH1A1F2POLB
SCHEMBL17325947 0.73 F2 (0.49) MGLLMAPTALDH1A1F2POLB
SCHEMBL10065751 0.73 MAPT (0.46) MAPTALDH1A1POLBLMNAKDM4E

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-20120009385-A1 RESIN COMPLEX AND LAMINATE FUJIFILM CORPORATION (JP) 2012-01-12 US disclosed
US-20100003533-A1 METAL-FILM-COATED MATERIAL AND PROCESS FOR PRODUCING THE SAME, METALLIC-PATTERN-BEARING MATERIAL AND PROCESS FOR PRODUCING THE SAME, COMPOSITION FOR POLYMER LAYER FORMATION, NITRILE GROUP-CONTAINING POLYMER AND METHOD OF SYNTHESIZING THE SAME, COMPOSITION CONTAINING NITRILE GROUP-CONTAINING POLYMER, AND LAMINATE FUJIFILM CORPORATION (JP) 2010-01-07 US disclosed