SCHEMBL436710

SCHEMBL436710

O=C(O)c1cccc2c1OC(F)c1occc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
HNF4A P41235 1/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
MYC P01106 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ALB P02768 1/20 0.33
ALOX15 P16050 1/20 0.32
LIG1 P18858 1/20 0.32
TYMS P04818 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FOLH1 Q04609 1/20 0.31
POLB P06746 2/20 0.30
TSHR P16473 1/20 0.30
NR4A1 P22736 1/20 0.30
NR4A2 P43354 1/20 0.30
NR4A3 Q92570 1/20 0.30

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
SCHEMBL436000 0.68 PARP1 (0.44) HSD17B10HNF4AALDH1A1L3MBTL1LMNA
SCHEMBL14937360 0.66 PARP1 (0.41) HSD17B10HNF4AALDH1A1L3MBTL1LMNA
SCHEMBL27316600 0.64 CYP2C9 (0.41) HSD17B10ALDH1A1MYCMAPTALB
SCHEMBL28290216 0.62 MYC (0.49) HNF4AALDH1A1L3MBTL1LMNAMYC
SCHEMBL29442138 0.60 KDM4C (0.52) ALDH1A1LMNAALOX15POLBHPGD
SCHEMBL340702 0.60 KDM4C (0.52) ALDH1A1LMNAALOX15POLBHPGD
SCHEMBL19923221 0.59 HSD17B10 (0.59) HSD17B10HNF4AALDH1A1L3MBTL1LMNA
SCHEMBL28565062 0.59 MYC (0.53) HSD17B10HNF4AALDH1A1L3MBTL1LMNA
SCHEMBL63603 0.58 HSD17B10 (0.58) HSD17B10HNF4AALDH1A1L3MBTL1LMNA
SCHEMBL70265 0.58 ALDH1A1 (0.63) HSD17B10HNF4AALDH1A1L3MBTL1LMNA

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-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 WO disclosed