SCHEMBL8480427

SCHEMBL8480427

CCCc1[c]ccc(-c2ccc(OC)c(C)c2)c1-c1ccc(OC)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.38
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.37
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
GRM2 Q14416 1/20 0.32
FFAR1 O14842 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8477428 0.88 PTGS2 (0.40) PTGS2PTGS1KDM4EMAPTPDGFRB
SCHEMBL8475140 0.81 PTGS2 (0.36) PTGS2PTGS1GABRA1GABRB2ALOX5
SCHEMBL8477965 0.76 MAPT (0.39) PTGS2MAPT
SCHEMBL8474934 0.76 BCL2L2 (0.33) PTGS2PTGS1GABRA1GABRB2ALOX5
SCHEMBL8474261 0.74 MGAM (0.42) MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL8478421 0.74 ALDH1A1 (0.36) PTGS2PTGS1SMN1; SMN2
SCHEMBL8479043 0.74 MAPK1 (0.37) PTGS2PTGS1GABRA1GABRB2ALOX5
SCHEMBL8581095 0.73 MAPK1 (0.36) PTGS2PTGS1GABRA1GABRB2ALOX5
SCHEMBL8475168 0.73 MAPK1 (0.39) PTGS2PTGS1GABRA1GABRB2ALOX5
SCHEMBL8581223 0.73 MAPK1 (0.36) PTGS2PTGS1GABRA1GABRB2ALOX5

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