SCHEMBL9816997

SCHEMBL9816997

CCCCC(c1ccc(Oc2ccccc2)cc1)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
KIF11 P52732 3/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC3 O15379 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
GSTP1 P09211 1/20 0.36
BACE1 P56817 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARA Q07869 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
SCHEMBL9713278 0.96 CNR1 (0.45) LTA4HCNR1CNR2ESR1ESR2
SCHEMBL9713613 0.93 THRA (0.39) LTA4HCNR1CNR2ESR1ESR2
SCHEMBL9713939 0.90 KIF11 (0.51) CNR1CNR2ESR1ESR2KIF11
SCHEMBL9816991 0.90 ESR1 (0.45) CNR1CNR2ESR1ESR2KIF11
SCHEMBL9817071 0.89 LMNA (0.41) LTA4HCNR1CNR2ESR1ESR2
SCHEMBL9816989 0.88 LTA4H (0.40) LTA4HCNR1CNR2ESR1ESR2
SCHEMBL9713495 0.87 NPC1 (0.40) LTA4HTHRATHRBGSTP1BACE1
SCHEMBL9713821 0.87 CNR1 (0.50) CNR1CNR2KIF11KCNH2BACE1
SCHEMBL9817052 0.86 KIF11 (0.51) CNR1CNR2ESR1ESR2KIF11
SCHEMBL9817028 0.86 KIF11 (0.44) CNR1CNR2ESR1ESR2KIF11

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-0277627-B1 POLYFORMAL RESINS AND PROCESS FOR PRODUCING SAID RESINS IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-10-23 EP disclosed
US-4801679-A Polyformal resin and process for producing said resin IDEMITSU KOSAN CO., LTD. (JP) 1989-01-31 US disclosed
EP-0277627-A1 Polyformal resins and process for producing said resins IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-08-10 EP disclosed