SCHEMBL6557567

SCHEMBL6557567

CCc1ccc2c3c(ccc2c1)OP(=O)(O)Oc1ccc2cc(CC)ccc2c1-3

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 17/20 0.58
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ELANE P08246 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
SCHEMBL6557250 0.89 GPR84 (0.56) GPR84KDM4EMEN1KMT2A
SCHEMBL6557253 0.86 GPR84 (0.53) GPR84KDM4EMEN1KMT2A
SCHEMBL6557609 0.85 GPR84 (0.52) GPR84KDM4E
SCHEMBL6557628 0.85 GPR84 (0.52) GPR84KDM4E
SCHEMBL6557226 0.85 GPR84 (0.52) GPR84KDM4E
SCHEMBL6557598 0.85 GPR84 (0.52) GPR84KDM4E
SCHEMBL6557591 0.85 GPR84 (0.52) GPR84KDM4E
Hydrochloric Acid SCHEMBL6557608 0.84 GPR84 (0.51) GPR84KDM4E
SCHEMBL6557260 0.80 GPR84 (0.62) GPR84CYP1A2CYP2A6KDM4EMEN1
SCHEMBL6558522 0.77 GPR84 (0.58) GPR84KDM4EMEN1KMT2A

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