SCHEMBL8475781

SCHEMBL8475781

OCCc1[c]cc(-c2ccccc2)c(OCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MGAM O43451 4/20 0.41
GAA P10253 4/20 0.41
SI P14410 4/20 0.41
MGAM2 Q2M2H8 4/20 0.41
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
GSTP1 P09211 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8480525 0.91 MGAM (0.42) CYP4F2CYP4A11MGAMGAASI
SCHEMBL8474577 0.89 MGAM (0.46) CYP4F2CYP4A11MGAMGAASI
SCHEMBL8476879 0.88 GAA (0.40) MGAMGAASIMGAM2TDP1
SCHEMBL8474999 0.85 GAA (0.41) MGAMGAASIMGAM2TDP1
SCHEMBL8478958 0.81 MGAM (0.46) MGAMGAASIMGAM2LMNA
SCHEMBL8476983 0.81 GAA (0.40) MGAMGAASIMGAM2TDP1
SCHEMBL8474594 0.81 RHEB (0.35) CYP4F2CYP4A11LTA4HTDP1GSTP1
SCHEMBL8474291 0.79 MGAM (0.43) MGAMGAASIMGAM2GSTP1
SCHEMBL8477816 0.79 GAA (0.43) MGAMGAASIMGAM2TDP1
SCHEMBL8475454 0.78 GAA (0.41) MGAMGAASIMGAM2TDP1

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