SCHEMBL8310758

SCHEMBL8310758

Cc1ccc(C(=O)O)c2c1OCCS2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HAAO P46952 1/20 0.33
MTNR1A P48039 3/20 0.33
XDH P47989 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
NR4A1 P22736 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL8308811 0.84 CTNNB1 (0.34) HSD17B10MAPK1NPC1MTNR1AXDH
SCHEMBL8307322 0.84 KDM4E (0.36) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL8307283 0.81 ALDH1A1 (0.36) HSD17B10MAPK1KDM4EALDH1A1RAB9A
SCHEMBL8307724 0.81 MEN1 (0.34) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL8310659 0.81 ALDH1A1 (0.52) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL8309840 0.77 MTNR1A (0.32) HSD17B10MAPK1RAB9ANPC1MTNR1A
SCHEMBL8310526 0.76 NPC1 (0.36) HSD17B10NPC1SMN1; SMN2XDHMEN1
SCHEMBL8310408 0.75 ALDH1A1 (0.36) HSD17B10MAPK1KDM4EALDH1A1RAB9A
SCHEMBL8139463 0.75 HSD17B10 (0.38) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL8310338 0.75 MEN1 (0.34) HSD17B10MAPK1KDM4EALDH1A1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed