SCHEMBL18534217

SCHEMBL18534217

O=C(O)CCc1ncc(P(=O)(O)O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 10/20 0.50
▸ RXRB P28702 10/20 0.50
▸ RXRG P48443 7/20 0.50
▸ TSHR P16473 2/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ C5 P01031 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL4632525 0.74 RXRA (0.54) RXRARXRBRXRGTSHRNR4A2
SCHEMBL16561819 0.71 FBP1 (0.34) —
SCHEMBL3719448 0.71 RXRA (0.51) RXRARXRBRXRGTSHRNR4A2
SCHEMBL18169217 0.69 RXRA (0.94) RXRARXRBRXRGTSHRNR4A2
SCHEMBL20275214 0.68 RXRA (0.45) RXRARXRBRXRGTSHRNR4A2
SCHEMBL6069881 0.66 RXRA (0.76) RXRARXRBRXRGKDM4ECYP2C19
SCHEMBL18169172 0.66 RXRA (0.76) RXRARXRBRXRGTSHRKDM4E
SCHEMBL18169197 0.66 RXRA (0.76) RXRARXRBRXRGTSHRKDM4E
SCHEMBL18534263 0.64 HDAC6 (0.42) RXRARXRBRXRGFFAR1P4HTM
SCHEMBL14146507 0.64 RXRA (0.44) RXRARXRBRXRGTSHRNR4A2

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
EP-2976346-B1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIV SHEFFIELD (GB) 2017-02-22 — — EP disclosed
Send feedback