SCHEMBL2707979

SCHEMBL2707979

CCCCCC(C(=O)OO)C(C)(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PRSS1 P07477 4/20 0.42
CTSG P08311 3/20 0.42
CTRB1 P17538 3/20 0.42
CMA1 P23946 3/20 0.42
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CNR2 P34972 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL786199 0.99 ALDH1A1 (0.45) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL168725 0.87 RIPK1 (0.36) ALDH1A1CNR2KMT2ACHRM2MAPT
SCHEMBL19260219 0.84 CA2 (0.46) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL28406017 0.84 ALDH1A1 (0.42) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL29614441 0.81 PPARG (0.36) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL9721468 0.80 SCN1A (0.33) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL855518 0.79 CYP2C19 (0.40) ALDH1A1CNR2CTSLCTSBCTSS
SCHEMBL14843728 0.77 RIPK1 (0.30)
SCHEMBL30478441 0.76 ALDH1A1 (0.32) ALDH1A1CYP3A4MEN1KMT2AKDM4E
SCHEMBL786580 0.76 USP2 (0.42) PRSS1CTSGCTRB1CMA1LMNA

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 4 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
WO-2010136385-A1 CROSSLINKABLE DIELECTRICS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2010-12-02 WO disclosed