SCHEMBL7770394

SCHEMBL7770394

O=C(O)c1ccc(C=Cc2ccccc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CYP1B1 Q16678 1/20 0.48
MAOB P27338 1/20 0.48
NFE2L2 Q16236 1/20 0.46
BACE1 P56817 1/20 0.46
SRD5A2 P31213 3/20 0.45
PTGER1 P34995 2/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
MAP4K4 O95819 1/20 0.43
MEN1 O00255 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN11 Q06124 1/20 0.42
SRD5A1 P18405 1/20 0.42
LTB4R Q15722 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 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
SCHEMBL7770389 1.00 ALOX15 (0.49) ALOX15TSHRCYP1B1MAOBNFE2L2
SCHEMBL6240189 0.90 BACE1 (0.55) BACE1SRD5A2SRD5A1RXRARXRB
SCHEMBL11699116 0.90 BACE1 (0.48) TSHRNFE2L2BACE1SRD5A2PTGER1
SCHEMBL11699129 0.90 BACE1 (0.48) TSHRNFE2L2BACE1SRD5A2PTGER1
SCHEMBL7776784 0.87 RXRA (0.51) ALOX15TSHRCYP1B1MAOBBACE1
SCHEMBL7776786 0.87 RXRA (0.51) ALOX15TSHRCYP1B1MAOBBACE1
SCHEMBL7770322 0.86 SRD5A2 (0.55) ALOX15TSHRCYP1B1MAOBSRD5A2
SCHEMBL7770324 0.86 SRD5A2 (0.55) ALOX15TSHRCYP1B1MAOBSRD5A2
SCHEMBL7774914 0.85 PTGER1 (0.65) TSHRBACE1SRD5A2PTGER1PTGER3
SCHEMBL7774912 0.85 PTGER1 (0.65) TSHRBACE1SRD5A2PTGER1PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed