SCHEMBL8892276

SCHEMBL8892276

COC(=O)c1ccc(OC)c(CC2COc3ccc(OCc4ccccc4)cc3C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 4/20 0.44
CYP19A1 P11511 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL8041618 0.86 CYP3A4 (0.47) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL8889121 0.81 CYSLTR2 (0.45) CYP3A4FFAR1L3MBTL1USP2LMNA
SCHEMBL8889127 0.81 CYSLTR2 (0.45) CYP3A4FFAR1L3MBTL1USP2LMNA
SCHEMBL8464318 0.77 MRGPRX4 (0.46) HPGDSMN1; SMN2CYP19A1ALDH1A1MAOB
SCHEMBL17385770 0.76 MAOB (0.57) HPGDSMN1; SMN2ALDH1A1LMNAMAOB
SCHEMBL8889671 0.75 MAOB (0.48) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL8889666 0.75 MAOB (0.48) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL9520446 0.74 CYSLTR1 (0.54)
SCHEMBL8899706 0.74 LTB4R (0.52) CYP3A4FFAR1L3MBTL1USP2
SCHEMBL8899697 0.74 LTB4R (0.52) CYP3A4FFAR1L3MBTL1USP2

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-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed