SCHEMBL6232401

SCHEMBL6232401

CCOc1ccc(OC(=O)O)c(O)c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CREBBP Q92793 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6232616 0.88 MAPT (0.38) L3MBTL1HSD17B10MAPK1LMNAKDM4E
SCHEMBL6233314 0.82 MAPT (0.41) L3MBTL1TSHRHSD17B10RAB9AMAPK1
SCHEMBL8042700 0.81 MAPT (0.45) GLAL3MBTL1TSHRHSD17B10LMNA
SCHEMBL6252173 0.81 TSHR (0.42) GLATSHRHSD17B10NPC1SMN1; SMN2
SCHEMBL5588498 0.79 KDM4E (0.44) GLAL3MBTL1TSHRHSD17B10NPC1
SCHEMBL27199180 0.79 PTGDR2 (0.39) CYP2C19ALDH1A1
SCHEMBL6232397 0.78 ESR1 (0.43) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL6234126 0.78 PTGDR2 (0.38) L3MBTL1TSHRHSD17B10LMNAHDAC1
SCHEMBL6232095 0.78 LMNA (0.33) RAB9AMAPK1LMNAMAPTPOLB
SCHEMBL6230446 0.78 CYP2C19 (0.38) TSHRHSD17B10NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed