SCHEMBL8987396

SCHEMBL8987396

CCC(CCCCC(=O)O)Oc1ccc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PDE4B Q07343 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.38
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
TBXAS1 P24557 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GABRA1 P14867 1/20 0.37
ALOX15 P16050 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL9291603 0.80 LTB4R (0.58) LTB4RALDH1A1HPGDPDE4B
SCHEMBL8987130 0.80 LTB4R (0.58) LTB4RALDH1A1HPGDPDE4B
SCHEMBL5365533 0.71 GAA (0.51) GAAMAPTALDH1A1HPGDPTGDR2
SCHEMBL8987100 0.70 ALDH2 (0.46) LTB4RGAATBXAS1PTGS2
SCHEMBL8987216 0.70 ALDH2 (0.46) LTB4RGAATBXAS1PTGS2
SCHEMBL8987182 0.68 LTB4R (0.52) LTB4RGAAALDH1A1HPGDPDE4B
SCHEMBL5720595 0.67 NPC1 (0.42) MAPTALDH1A1HPGDLMNAHSD17B10
SCHEMBL9391332 0.66 PDE4B (0.57) PDE4BTBXAS1
SCHEMBL9862463 0.65 PDE4B (0.52) LTB4RALDH1A1PDE4BTBXAS1
SCHEMBL7832869 0.65 PDE4B (0.55) LTB4RGAAPDE4BTBXAS1

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-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed