SCHEMBL9852728

SCHEMBL9852728

O=[C][C@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CTSS P25774 11/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSL P07711 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL10587734 1.00 KDM4E (0.53) KDM4EALDH1A1TSHRHSD17B10CTSS
SCHEMBL10588292 0.90 FAAH (0.46) KDM4EALDH1A1TSHRHSD17B10CTSS
SCHEMBL10588293 0.90 FAAH (0.46) KDM4EALDH1A1TSHRHSD17B10CTSS
SCHEMBL756847 0.84 KDM4E (0.55) KDM4EALDH1A1TSHRHSD17B10CTSS
SCHEMBL2780950 0.84 KDM4E (0.55) KDM4EALDH1A1TSHRHSD17B10CTSS
SCHEMBL9631551 0.81 CTSS (0.60) CTSSCTSLMMP8
SCHEMBL9631546 0.81 CTSS (0.60) CTSSCTSLMMP8
SCHEMBL9631257 0.80 POLB (0.53) KDM4EALDH1A1TSHRHSD17B10CTSS
SCHEMBL10586443 0.80 CTSS (0.51) KDM4EALDH1A1TSHRHSD17B10CTSS
SCHEMBL10587171 0.80 CTSS (0.47) KDM4EALDH1A1TSHRHSD17B10CTSS

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-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP disclosed