SCHEMBL8480995

SCHEMBL8480995

COc1ccc(-c2c[c]c(C)c(-c3ccc(OC)c(C)c3)c2Oc2ccccc2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.35
PTGS1 P23219 2/20 0.34
ERN1 O75460 1/20 0.34
TTR P02766 3/20 0.34
BRD4 O60885 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PRKCQ Q04759 1/20 0.32

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
SCHEMBL8474934 0.84 BCL2L2 (0.33) PTGS2PTGS1ERN1TTRMAPT
SCHEMBL8479650 0.83 TLR8 (0.36) PTGS2PTGS1ERN1TTRGAA
SCHEMBL8477755 0.82 MGAM (0.46) ERN1MAPTGAAKDM4EALDH1A1
SCHEMBL8479978 0.79 PDE4B (0.36) PTGS2MAPTKDM4EALDH1A1HPGD
SCHEMBL8474261 0.69 MGAM (0.42) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL8478958 0.69 MGAM (0.46) ERN1MAPTGAAKDM4EALDH1A1
SCHEMBL8481674 0.68 PTGS2 (0.37) PTGS2PTGS1MAPTGAAKDM4E
SCHEMBL1911833 0.67 LTA4H (0.57) ERN1TTRKDM4EALDH1A1TDP1
SCHEMBL7936555 0.67 HTR2C (0.52) PTGS2PTGS1MAPTKDM4ETNKS2
SCHEMBL29644376 0.67 KDM4E (0.54) MAPTGAAKDM4EALDH1A1TDP1

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
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed