SCHEMBL9852739

SCHEMBL9852739

C[C@@H]([C]=O)N(C(=O)N1CCOCC1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.48
AKR1C3 P42330 3/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MGLL Q99685 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FKBP1A P62942 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MLYCD O95822 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOA3 Q9Y6Q9 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
SCHEMBL9852761 0.88 CHRNA7 (0.44) AKR1C3RAB9AALDH1A1HPGDHTT
SCHEMBL2638479 0.78 LMNA (0.39) ALDH1A1KDM4E
SCHEMBL7445245 0.70 ALDH1A1 (0.57) PHGDHAKR1C3ALDH1A1HPGDTSHR
SCHEMBL6800724 0.69 SMN1; SMN2 (0.46) PHGDHAKR1C3NPC1ALDH1A1FKBP1A
SCHEMBL6795518 0.66 MAPT (0.57) PHGDHAKR1C3RAB9AALDH1A1MGLL
(4-Chlorophenyl)(Morpholino)Methanone SCHEMBL6937394 0.66 PHGDH (1.00) PHGDHAKR1C3L3MBTL1ALDH1A1HPGD
SCHEMBL6801153 0.65 ALDH1A1 (0.49) PHGDHAKR1C3ALDH1A1HPGDTSHR
SCHEMBL10725098 0.64 ALDH1A1 (0.42) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL28611988 0.63 PHGDH (0.71) PHGDHAKR1C3NPC1RAB9AL3MBTL1
SCHEMBL19423879 0.63 PHGDH (0.71) PHGDHAKR1C3L3MBTL1ALDH1A1HPGD

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

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