SCHEMBL9816352

SCHEMBL9816352

C=C(C)CCC(CC(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.44
CPA1 P15085 1/20 0.44
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
MME P08473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KISS1R Q969F8 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL31756901 0.85 CHRM1 (0.50) FOLH1
SCHEMBL9816501 0.84 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL2015915 0.81 FOLH1 (0.58) SLC1A3SLC1A2FOLH1
SCHEMBL9816375 0.79 CA2 (0.54) SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL19295500 0.79 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CPA1ANPEP
SCHEMBL9816520 0.78 CHRM1 (0.67) SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL2223443 0.77 SLC1A2 (0.57) SLC1A3SLC1A2SLC1A1CPA1ANPEP
SCHEMBL27084627 0.77 SLC1A2 (0.57) SLC1A3SLC1A2SLC1A1CPA1ANPEP
SCHEMBL31544400 0.76 SLC1A2 (0.56) SLC1A3SLC1A2SLC1A1CPA1ANPEP
SCHEMBL18423781 0.76 SLC1A1 (0.51) SLC1A3SLC1A2SLC1A1CPA1ANPEP

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-0174271-B1 ANTHRACEME DERIVATIVES CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
EP-0174271-A2 Anthraceme derivatives CIBA-GEIGY AG (CH) 1986-03-12 EP disclosed