SCHEMBL11801259

SCHEMBL11801259

O=C(Cl)OCC(=O)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
HPGD P15428 1/20 0.62
LMNA P02545 2/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 2/20 0.57
KMT2A Q03164 2/20 0.57
GSK3B P49841 2/20 0.53
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL11757716 0.81 ALDH1A1 (0.62) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL866784 0.79 GSK3B (0.61) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL11065047 0.78 RAB9A (0.58) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL20055247 0.78 HPGD (0.58) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL15706788 0.77 RAB9A (0.76) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL16398364 0.77 RAB9A (1.00) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL15396003 0.77 RAB9A (0.57) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL11430934 0.76 GSK3B (0.57) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL11430938 0.76 GSK3B (0.57) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL4575816 0.75 NPC1 (0.58) RAB9ANPC1HPGDLMNAKDM4E

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-3962224-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 US disclosed