SCHEMBL9147013

SCHEMBL9147013

C=CCc1ccc(Oc2ccc(C(=O)O)cc2)cc1OCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PLA2G4B P0C869 6/20 0.55
RARB P10826 3/20 0.53
MAPT P10636 1/20 0.53
PLA2G4A P47712 1/20 0.51
PTPN11 Q06124 2/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL9152382 0.88 L3MBTL1 (0.46) TP53TSHRMAPTALDH1A1
SCHEMBL9445473 0.82 PLA2G4B (0.56) TP53TSHRPLA2G4BMAPTPTPN11
SCHEMBL7271274 0.79 TP53 (0.90) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL2839058 0.79 CNR2 (0.52) TSHRMAPTALDH1A1
SCHEMBL2844258 0.76 CNR2 (0.50) TP53TSHRMAPTALDH1A1
SCHEMBL2842661 0.76 CNR2 (0.50) TSHRMAPTALDH1A1
SCHEMBL2846352 0.76 CNR2 (0.50) TSHRMAPTALDH1A1
SCHEMBL2848554 0.76 CNR2 (0.50) TSHRMAPTALDH1A1
SCHEMBL17215244 0.75 TSHR (0.48) TP53TSHRPLA2G4BPTPN11ALDH1A1
SCHEMBL9513077 0.75 ALDH1A1 (0.59) TP53TSHRPLA2G4BRARBPLA2G4A

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
EP-0442748-B1 Improvements in and relating to leukotriene antagonists LILLY CO ELI (US) 1995-01-11 EP disclosed
EP-0442748-A1 Improvements in and relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
US-4996230-A Antiallergens, antiinflammatory agent ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed