SCHEMBL9079802

SCHEMBL9079802

CC(=O)Cc1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.56
MAOB P27338 2/20 0.52
FFAR1 O14842 1/20 0.51
ALOX5 P09917 5/20 0.50
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL9852730 0.89 MAOB (0.55) MRGPRX4MAOB
SCHEMBL9080535 0.87 MRGPRX4 (0.60) MRGPRX4MAOBFFAR1ALOX5LTB4R
SCHEMBL670027 0.87 MAOB (0.68) MAOBFFAR1LTB4RLTB4R2
SCHEMBL9270474 0.84 MAOB (0.59) MRGPRX4MAOBALOX5LTB4RLTB4R2
SCHEMBL265881 0.83 L3MBTL1 (0.56) ALOX5
SCHEMBL14021715 0.83 CYSLTR2 (0.56) MRGPRX4MAOBFFAR1
SCHEMBL9186121 0.82 MAOB (0.74) MRGPRX4MAOB
SCHEMBL13462884 0.81 CYP1A2 (0.65) MRGPRX4MAOBALOX5TLR4TLR2
SCHEMBL5116303 0.79 PTPN1 (0.63) MRGPRX4MAOBFFAR1ALOX5
SCHEMBL18537208 0.78 L3MBTL1 (0.51) ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US disclosed
US-5288742-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-22 US disclosed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP disclosed