SCHEMBL8310338

SCHEMBL8310338

CSc1ccc(C(=O)O)c2c1SCCO2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
XDH P47989 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MTNR1A P48039 3/20 0.31
AR P10275 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
MCL1 Q07820 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
SCHEMBL8307724 0.89 MEN1 (0.34) MEN1KMT2AXDHHSD17B10MAPK1
SCHEMBL8307396 0.82 ALDH1A1 (0.39) MEN1KMT2AHSD17B10MAPK1ALDH1A1
SCHEMBL8310642 0.79 HSD17B10 (0.33) HSD17B10MTNR1A
SCHEMBL8310408 0.78 ALDH1A1 (0.36) MEN1KMT2AXDHHSD17B10MAPK1
Hydrochloric Acid SCHEMBL8308599 0.77 CTNNB1 (0.33) XDHHSD17B10MAPK1ALDH1A1KDM4E
SCHEMBL8311110 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8310758 0.75 HSD17B10 (0.38) MEN1KMT2AXDHHSD17B10MAPK1
SCHEMBL8310731 0.74 ALDH1A1 (0.39) MEN1KMT2AHSD17B10MAPK1ALDH1A1
SCHEMBL8307283 0.72 ALDH1A1 (0.36) MEN1KMT2AXDHHSD17B10MAPK1
SCHEMBL8308811 0.72 CTNNB1 (0.34) XDHHSD17B10MAPK1MTNR1A

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