SCHEMBL3074637

SCHEMBL3074637

CCCCCC(C)(C)c1ccccc1C(=O)OO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
CYP3A4 P08684 4/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 7/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL15018 0.89 ALDH1A1 (0.42) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL166714 0.88 NPC1 (0.41) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL543878 0.83 TSHR (0.43) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL3074634 0.81 NPC1 (0.39) TSHRCYP3A4MAPK1TP53ALDH1A1
Hexanoate SCHEMBL28167751 0.79 ALDH1A1 (0.45) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL29942702 0.79 ALDH1A1 (0.52) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL8950038 0.79 ALDH1A1 (0.49) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL28330842 0.78 TAAR1 (0.40) TSHRCYP3A4ALDH1A1LMNAMEN1
SCHEMBL23058134 0.77 TSHR (0.47) TSHRALDH1A1LMNAKMT2AMAPT
SCHEMBL11216774 0.77 CNR2 (0.43) CNR1CNR2

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
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