SCHEMBL29941196

SCHEMBL29941196

Cc1ncc(OP(=O)(O)O)c(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ ACP1 P24666 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ P2RX1 P51575 1/20 0.43
▸ P2RX2 Q9UBL9 1/20 0.43
▸ PNPO Q9NVS9 1/20 0.42
▸ INPPL1 O15357 11/20 0.42
▸ INPP5A Q14642 6/20 0.42
▸ INPP5B P32019 2/20 0.42
▸ AKT1 P31749 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AOX1 Q06278 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TRIM24 O15164 1/20 0.33

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
SCHEMBL12677154 0.75 CYP3A4 (0.40) P2RX2KDM4EALDH1A1HPGDMEN1
SCHEMBL30413789 0.71 ESR1 (0.69) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL12727925 0.71 ESR1 (0.69) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL28122353 0.70 INPPL1 (0.50) INPPL1INPP5AINPP5BAKT1KDM4E
Water SCHEMBL29016468 0.68 P2RX2 (0.53) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL4577077 0.68 KDM4E (0.49) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL5667259 0.68 PNPO (0.39) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL28726252 0.67 ESR1 (0.52) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL29711865 0.67 ESR1 (0.52) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL4576389 0.67 KDM4E (0.47) ESR1PTGS1ACP1PDE4AP2RX1

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-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 — — US disclosed
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