SCHEMBL6557250

SCHEMBL6557250

CCCc1ccc2c3c(ccc2c1)OP(=O)(O)Oc1ccc2cc(CCC)ccc2c1-3

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 16/20 0.56
NCEH1 Q6PIU2 2/20 0.41
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6557253 0.92 GPR84 (0.53) GPR84NCEH1KDM4EMEN1KMT2A
SCHEMBL6557591 0.91 GPR84 (0.52) GPR84KDM4E
SCHEMBL6557609 0.91 GPR84 (0.52) GPR84KDM4E
SCHEMBL6557628 0.91 GPR84 (0.52) GPR84KDM4E
SCHEMBL6557226 0.91 GPR84 (0.52) GPR84KDM4E
SCHEMBL296118 0.91 GPR84 (0.52) GPR84KDM4E
SCHEMBL6557598 0.91 GPR84 (0.52) GPR84KDM4E
Hydrochloric Acid SCHEMBL6557608 0.90 GPR84 (0.51) GPR84KDM4E
SCHEMBL6557567 0.89 GPR84 (0.58) GPR84KDM4EMEN1KMT2A
SCHEMBL6557613 0.79 GPR84 (0.40) GPR84KDM4E

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-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 EP disclosed
US-6274745-B1 CATALYST TOSOH CORPORATION (JP) 2001-08-14 US disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 EP disclosed