SCHEMBL23906005

SCHEMBL23906005

CC(C)c1c(OCc2ccc(C(=O)O)cc2)ccc2c1OCCC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.46
RXRB P28702 8/20 0.46
RXRG P48443 6/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
HPGD P15428 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PSMD14 O00487 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOB P27338 2/20 0.41

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
SCHEMBL23882644 0.85 MAOB (0.47) HPGDALDH1A1MAPTLTB4RLTB4R2
SCHEMBL23905943 0.84 GRM5 (0.41) MRGPRX4HPGDALDH1A1LTB4RLTB4R2
SCHEMBL23882634 0.80 MAOB (0.42) MRGPRX4HPGDALDH1A1LTB4RLTB4R2
SCHEMBL32675527 0.80 MAOB (0.42) MRGPRX4HPGDALDH1A1LTB4RLTB4R2
SCHEMBL30251165 0.78 LTB4R (0.36) MRGPRX4MAPTLTB4RLTB4R2GRM5
SCHEMBL30251516 0.78 LTB4R (0.36) MRGPRX4MAPTLTB4RLTB4R2GRM5
SCHEMBL30251166 0.78 LTB4R (0.36) MRGPRX4MAPTLTB4RLTB4R2GRM5
SCHEMBL23882847 0.78 LTB4R (0.36) MRGPRX4MAPTLTB4RLTB4R2GRM5
SCHEMBL30251015 0.78 LTB4R (0.36) MRGPRX4MAPTLTB4RLTB4R2GRM5
SCHEMBL23905955 0.76 GRM5 (0.60) MRGPRX4HPGDALDH1A1NPC1RAB9A

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
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed