SCHEMBL3074634

SCHEMBL3074634

CC(C)(C)CC(C)(C)c1ccccc1C(=O)OO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
TSHR P16473 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 2/20 0.37
ELANE P08246 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.36
SLC6A3 Q01959 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL166714 0.86 NPC1 (0.41) NPC1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL543878 0.85 TSHR (0.43) NPC1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28330842 0.83 TAAR1 (0.40) NPC1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL15018 0.82 ALDH1A1 (0.42) NPC1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3074637 0.81 TSHR (0.46) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL29448528 0.80 MAPT (0.44) NPC1TSHRTDP1ELANEALDH1A1
SCHEMBL14976 0.80 MAPT (0.44) NPC1TSHRTDP1ELANEALDH1A1
SCHEMBL28053059 0.79 CA1 (0.37) NPC1TSHRCYP3A4ELANEALDH1A1
SCHEMBL30949796 0.79 MAPT (0.43) NPC1TSHRTDP1ELANEALDH1A1
Hydrogen Peroxide SCHEMBL8974942 0.79 TDP1 (0.46) NPC1TSHRTDP1L3MBTL1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943306-B1 LOW TEMPERATURE INITIATORS FOR IMPROVING THE RUBBER PHASE VOLUME OF HIPS FORMULATIONS FINA TECHNOLOGY (US) 2012-07-18 EP claimed
EP-1408056-B1 Preparation of expandable styrene polymers ARKEMA INC (US) 2008-04-23 EP claimed
EP-0506105-B1 Vulcanizable rubber composition DAIKIN IND LTD (JP) 1996-01-03 EP claimed
US-7790081-B2 Method of manufacturing formed product coated in mold DAI NIPPON TORYO CO., LTD. (JP) 2010-09-07 US disclosed
US-20050012241-A1 Method of manufacturing formed product coated in mold DAI NIPPON TORYO CO., LTD. (JP) 2005-01-20 US disclosed
EP-0180789-B1 CROSS-LINKING OF STYRENE POLYMERS Luperox GmbH (DE) 1990-02-28 EP disclosed
EP-0180789-A1 Cross-linking of styrene polymers Luperox GmbH (DE) 1986-05-14 EP disclosed