SCHEMBL8701198

SCHEMBL8701198

O=C(O)C(Cc1ccccc1)CC(O)C(O)COCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.57
CYP1A2 P05177 1/20 0.54
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
FOLH1 Q04609 2/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
CPA1 P15085 3/20 0.49
CPA3 P15088 3/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
KMT2A Q03164 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL8696590 0.86 SLC1A1 (0.52) SLC1A1CYP1A2SLC1A3SLC1A2FOLH1
SCHEMBL7267044 0.84 SLC1A1 (0.67) SLC1A1CYP1A2SLC1A3SLC1A2FOLH1
SCHEMBL27816147 0.84 SLC1A1 (0.67) SLC1A1CYP1A2SLC1A3SLC1A2FOLH1
SCHEMBL27816149 0.84 SLC1A1 (0.67) SLC1A1CYP1A2SLC1A3SLC1A2FOLH1
SCHEMBL93709 0.80 CA1 (0.66) SLC1A1KMT2ACA1CA2CA7
SCHEMBL4385964 0.80 CA1 (0.66) SLC1A1KMT2ACA1CA2CA7
SCHEMBL93708 0.80 CA1 (0.66) SLC1A1KMT2ACA1CA2CA7
SCHEMBL4382418 0.80 CA1 (0.66) SLC1A1KMT2ACA1CA2CA7
SCHEMBL8839263 0.79 SLC1A1 (0.73) SLC1A1CYP1A2SLC1A3SLC1A2FOLH1
SCHEMBL9622038 0.79 CYP1A2 (0.86) SLC1A1CYP1A2SLC1A3SLC1A2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed