SCHEMBL786199

SCHEMBL786199

CCCCCCCCCCC(C(=O)OO)C(C)(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PRSS1 P07477 3/20 0.43
CTSG P08311 2/20 0.43
CTRB1 P17538 2/20 0.43
CMA1 P23946 2/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
HDAC6 Q9UBN7 3/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2707979 0.99 ALDH1A1 (0.43) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL168725 0.86 RIPK1 (0.36) ALDH1A1CHRM2MAPTKMT2ACNR2
SCHEMBL28406017 0.85 ALDH1A1 (0.42) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL19260219 0.83 CA2 (0.46) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL29614441 0.82 PPARG (0.36) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL9721468 0.79 SCN1A (0.33) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL855518 0.78 CYP2C19 (0.40) ALDH1A1HDAC6CHRM2MAPTOPRK1
SCHEMBL30478441 0.78 ALDH1A1 (0.32) ALDH1A1MEN1CYP3A4KMT2APPARG
SCHEMBL5852520 0.77 ZDHHC7 (0.44) LMNAMEN1MAPTKMT2A
SCHEMBL9360843 0.77 ZDHHC7 (0.44) LMNAMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436056-B1 Electronic device comprising organic crosslinkable dielectrics and method of preparation thereof BASF SE (DE) 2016-08-03 EP disclosed
US-8853820-B2 Crosslinkable dielectrics and methods of preparation and use thereof BASF SE (DE) 2014-10-07 US disclosed
EP-2436056-A1 CROSSLINKABLE DIELECTRICS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2012-04-04 EP disclosed
US-20120068314-A1 CROSSLINKABLE DIELECTRICS AND METHODS OF PREPARATION AND USE THEREOF POLYERA CORPORATION (US) 2012-03-22 US disclosed
WO-2010136385-A1 CROSSLINKABLE DIELECTRICS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2010-12-02 WO disclosed