SCHEMBL6557253

SCHEMBL6557253

CCCCc1ccc2c3c(ccc2c1)OP(=O)(O)Oc1ccc2cc(CCCC)ccc2c1-3

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.53
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KAT8 Q9H7Z6 2/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NCEH1 Q6PIU2 2/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL6557628 0.96 GPR84 (0.52) GPR84KAT8PPARAKDM4ETRPV1
SCHEMBL6557609 0.96 GPR84 (0.52) GPR84KAT8PPARAKDM4ETRPV1
SCHEMBL296118 0.96 GPR84 (0.52) GPR84KAT8PPARAKDM4ETRPV1
SCHEMBL6557598 0.96 GPR84 (0.52) GPR84KAT8PPARAKDM4ETRPV1
SCHEMBL6557226 0.96 GPR84 (0.52) GPR84KAT8PPARAKDM4ETRPV1
SCHEMBL6557591 0.96 GPR84 (0.52) GPR84KAT8PPARAKDM4ETRPV1
Hydrochloric Acid SCHEMBL6557608 0.95 GPR84 (0.51) GPR84KAT8PPARAKDM4ETRPV1
SCHEMBL6557250 0.92 GPR84 (0.56) GPR84KDM4EMEN1KMT2ANCEH1
SCHEMBL6557567 0.86 GPR84 (0.58) GPR84KDM4EMEN1KMT2A
SCHEMBL6557613 0.85 GPR84 (0.40) GPR84KAT8PPARAKDM4ETRPV1

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