SCHEMBL8206933

SCHEMBL8206933

O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)sc1NC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH2 P05091 1/20 0.51
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP13 P45452 1/20 0.46

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
Bicarbonate SCHEMBL7425820 0.92 KDM4E (0.53) LMNAKDM4EALDH2POLBMAPT
SCHEMBL8211919 0.90 KDM4E (0.54) LMNAKDM4EALDH2POLBMAPT
SCHEMBL7881605 0.89 MAPT (0.52) LMNAKDM4EMAPTKMT2AMEN1
SCHEMBL8200327 0.88 KMT2A (0.52) LMNAKDM4EPOLBMAPTGAA
SCHEMBL8220300 0.86 MAPT (0.48) LMNAKDM4EALDH2POLBMAPT
SCHEMBL7892994 0.84 USP2 (0.45) MAPTKMT2AMEN1TP53HPGD
SCHEMBL7887105 0.84 SMN1; SMN2 (0.43) LMNAKDM4EPOLBKMT2AMEN1
SCHEMBL8297238 0.82 POLB (0.53) LMNAKDM4EALDH2POLBMAPT
SCHEMBL8199987 0.82 LMNA (0.57) LMNAKDM4EALDH2POLBMAPT
SCHEMBL7881446 0.81 NPC1 (0.49) LMNAKDM4EPOLBKMT2AHPGD

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
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed