SCHEMBL8465373

SCHEMBL8465373

C=C(C)c1cccc(C(C)C)c1.N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HTT P42858 2/20 0.42
MDM4 O15151 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
TYR P14679 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CA5A P35218 1/20 0.42
MDM2 Q00987 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL5132963 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
SCHEMBL31529664 0.89 MAPT (0.46) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
SCHEMBL299924 0.89 MAPT (0.46) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
SCHEMBL2045779 0.80 HDAC4 (0.50) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
SCHEMBL3358129 0.80 HDAC4 (0.50) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
SCHEMBL10595471 0.78 KAT6A (0.38) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
Pyrrolidine SCHEMBL21111261 0.78 MAPT (0.37) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
SCHEMBL5416148 0.78 GBA1 (0.38) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
SCHEMBL8150712 0.78 GBA1 (0.38) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
SCHEMBL20327221 0.77 GBA1 (0.43) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833830-B1 HYDROXY FUNCTIONAL ALKOXYSILANE AND ALKOXYSILANE FUNCTIONAL POLYURETHANE MADE THEREFROM MINNESOTA MINING & MFG (US) 1999-03-03 EP disclosed
EP-0833830-A1 HYDROXY FUNCTIONAL ALKOXYSILANE AND ALKOXYSILANE FUNCTIONAL POLYURETHANE MADE THEREFROM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-04-08 EP disclosed
EP-0638066-B1 Process for the preparation of a tertiary-aryl carbotiimide and alternating polycarbodiimide DU PONT (US) 1997-07-02 EP disclosed
US-5587502-A MOISTURE CURABLE MINNESOTA MINING & MANUFACTURING COMPANY (US) 1996-12-24 US disclosed
WO-1996038453-A1 HYDROXY FUNCTIONAL ALKOXYSILANE AND ALKOXYSILANE FUNCTIONAL POLYURETHANE MADE THEREFROM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-05 WO disclosed
EP-0638066-A1 CARBODIIMIDES AND PROCESSES THEREFOR. DU PONT (US) 1995-02-15 EP disclosed
US-5352400-A Carbodiimides and processes therefor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-10-04 US disclosed
US-5349087-A Carbodiimides and processes therefor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-09-20 US disclosed
WO-1993022282-A2 CARBODIIMIDES AND PROCESSES THEREFOR E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-11 WO disclosed