SCHEMBL8600776

SCHEMBL8600776

O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.73
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 4/20 0.60
BRD4 O60885 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 1/20 0.59
KDM4E B2RXH2 2/20 0.59
EPHX2 P34913 3/20 0.52
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
VCP P55072 1/20 0.48
P2RX7 Q99572 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL8600781 1.00 EPHX1 (0.73) EPHX1NPC1RAB9AALDH1A1BRD4
SCHEMBL9178993 0.92 EPHX1 (0.84) EPHX1NPC1RAB9AALDH1A1BRD4
SCHEMBL23432014 0.84 EPHX1 (1.00) EPHX1NPC1RAB9AALDH1A1BRD4
SCHEMBL23431981 0.84 EPHX1 (1.00) EPHX1NPC1RAB9AALDH1A1BRD4
SCHEMBL12196136 0.84 EPHX1 (1.00) EPHX1NPC1RAB9AALDH1A1BRD4
SCHEMBL8598568 0.83 NPC1 (0.52) EPHX1NPC1RAB9AALDH1A1BRD4
SCHEMBL6296162 0.83 NAMPT (0.57) EPHX1NPC1RAB9AALDH1A1POLB
SCHEMBL3894606 0.79 EPHX1 (0.65) EPHX1NPC1RAB9AALDH1A1BRD4
SCHEMBL3894602 0.79 EPHX1 (0.65) EPHX1NPC1RAB9AALDH1A1BRD4
SCHEMBL8598520 0.78 HDAC3 (0.64) KDM4EMEN1GAAKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585130-B1 External preparation for skin containing a depigmentation agent SHISEIDO CO LTD (JP) 1998-01-28 EP disclosed
US-5690914-A TRANEXAMIC ACID DERIVATIVES FOR DEPIGMENTATION SHISEIDO CO., LTD (JP) 1997-11-25 US disclosed
EP-0585130-A2 External preparation for skin containing a depigmentation agent SHISEIDO COMPANY LIMITED (JP) 1994-03-02 EP disclosed