SCHEMBL9220169

SCHEMBL9220169

COC=C(C(=O)O)c1c(C=O)sc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
CNR2 P34972 6/20 0.40
TDP1 Q9NUW8 5/20 0.38
CNR1 P21554 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
ATM Q13315 2/20 0.38
KDM4E B2RXH2 6/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
CASP1 P29466 1/20 0.35
RAB9A P51151 3/20 0.35

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
SCHEMBL9214359 0.88 LMNA (0.46) LMNAMAPK1CNR2TDP1CNR1
SCHEMBL9216484 0.83 LMNA (0.46) LMNAMAPK1CNR2TDP1CNR1
SCHEMBL9220387 0.79 CNR2 (0.43) LMNAMAPK1CNR2TDP1CNR1
SCHEMBL8323182 0.71 TUBB4A (0.48) LMNAMAPK1CNR2TDP1L3MBTL1
SCHEMBL9212799 0.71 LMNA (0.48) LMNAMAPK1CNR2TDP1CNR1
SCHEMBL9033569 0.70 BCL2L1 (0.57) CNR2CNR1L3MBTL1RAB9A
SCHEMBL7142280 0.70 TUBB4A (0.36) LMNAMAPK1CNR2TDP1CNR1
SCHEMBL7142284 0.70 TUBB4A (0.36) LMNAMAPK1CNR2TDP1CNR1
SCHEMBL8972816 0.68 AKR1C2 (0.58) LMNAMAPK1TDP1KDM4EMAPT
SCHEMBL9219336 0.68 MAPK1 (0.44) LMNAMAPK1CNR2TDP1CNR1

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-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP claimed