SCHEMBL8322740

SCHEMBL8322740

CCOC(=O)COc1ccc(NC(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
GAA P10253 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NLRP3 Q96P20 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7351054 0.88 SMN1; SMN2 (0.50) MAPTLMNAPOLBGAAKDM4E
SCHEMBL8524271 0.84 HPGD (0.46) MAPTLMNAPOLBGAAKDM4E
SCHEMBL15888157 0.83 MEN1 (0.47) LMNAGAAKDM4ENPC1RAB9A
SCHEMBL8664998 0.82 TDP1 (0.56) MAPTLMNAPOLBGAANPC1
SCHEMBL4856473 0.81 EPHX2 (0.54) MAPTLMNAPOLBGAAKDM4E
SCHEMBL7475639 0.80 SMN1; SMN2 (0.56) MAPTLMNAGAAHSD17B10NPC1
SCHEMBL5195851 0.80 HPGD (0.49) MAPTLMNAPOLBGAAKDM4E
SCHEMBL4851453 0.78 RORC (0.54) MAPTGAANPC1RAB9ANLRP3
SCHEMBL27960495 0.78 ALDH1A1 (0.50) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL7371023 0.77 SMN1; SMN2 (0.48) MAPTGAANLRP3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed