SCHEMBL9751679

SCHEMBL9751679

CCNOC(=O)CC[C@@H]([C]=O)NC(=O)NCC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL9843547 0.74 SLC1A1 (0.33)
SCHEMBL27929532 0.70 TSHR (0.48) ALDH1A1
SCHEMBL7592305 0.66
SCHEMBL7747212 0.65 EPHX1 (0.37) ALDH1A1ACACB
SCHEMBL7747210 0.65 EPHX1 (0.37) ALDH1A1ACACB
SCHEMBL7445995 0.64 NPC1 (0.49) ALDH1A1ACACB
SCHEMBL8956715 0.64 CYP1A2 (0.31)
SCHEMBL4392445 0.63
SCHEMBL3498485 0.62 CYP2D6 (0.44)
Hydrochloric Acid SCHEMBL23633200 0.62 CNR2 (0.33) ALDH1A1

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-0400065-A4 LHRH ANALOGS 1991-03-13 EP claimed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 EP claimed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed