SCHEMBL8169116

SCHEMBL8169116

COc1ccc2c(c1)CCC(=Cc1ccccc1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 1.00
MAOB P27338 3/20 0.82
ABCB1 P08183 1/20 0.77
MAPT P10636 4/20 0.76
ALDH1A1 P00352 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
CYP26A1 O43174 3/20 0.76
LMNA P02545 2/20 0.76
CYP19A1 P11511 1/20 0.76
CYP27A1 Q02318 2/20 0.76
CYP24A1 Q07973 2/20 0.76
BCHE P06276 1/20 0.74
ACHE P22303 1/20 0.74
KDM4E B2RXH2 1/20 0.73
GAA P10253 1/20 0.73
HTT P42858 1/20 0.73
MEN1 O00255 2/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
KMT2A Q03164 2/20 0.72

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
SCHEMBL8169114 1.00 MIF (1.00) MIFMAOBABCB1MAPTALDH1A1
SCHEMBL6958968 0.92 MIF (0.85) MIFMAOBABCB1MAPTALDH1A1
SCHEMBL14033508 0.89 MIF (0.81) MIFMAOBABCB1MAPTALDH1A1
SCHEMBL6967839 0.88 MIF (0.79) MIFMAOBABCB1MAPTALDH1A1
SCHEMBL5582418 0.87 MAOB (1.00) MIFMAOBCYP19A1BCHEACHE
SCHEMBL5582417 0.87 MAOB (1.00) MIFMAOBCYP19A1BCHEACHE
SCHEMBL14524721 0.87 MAOB (1.00) MIFMAOBCYP19A1BCHEACHE
SCHEMBL8166049 0.86 MIF (0.77) MIFMAOBABCB1MAPTALDH1A1
SCHEMBL6827633 0.86 CYP19A1 (1.00) MIFABCB1MAPTALDH1A1SMN1; SMN2
SCHEMBL6827637 0.86 CYP19A1 (1.00) MIFABCB1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133286-A ANTAGONISTS; ANTIINFLAMMATORY AGENTS FOR RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, PSORIASIS AND OTHER SKIN DISORDERS, E.G., ECZEMA, ERYTHEMA, PRURITUS AND ACNE; STROKE, REPERFUSION INJURY, GRAFTING PFIZER INC. (US) 2000-10-17 US disclosed
US-6117874-A AROMATIC RING-SUBSTITUTED 4-HYDROXYTETRAHYDROQUINOLINES PFIZER INC. (US) 2000-09-12 US disclosed
US-6051601-A USEFUL OF INFLAMMATORY DISORDERS INCLUDING RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, PSORIASIS AND OTHER SKIN DISORDERS SUCH AS ECZEMA, ERYTHEMA, PRURITUS AND ACNE, STROKE AND OTHER FORMS OF REPERFUSLON PFIZER INC. (US) 2000-04-18 US disclosed
US-5939452-A TREATMENT OF ANTIINFLAMMATORY SKIN DISORDERS, AUTOIMMUNE DISORDERS PFIZER INC (US) 1999-08-17 US disclosed
EP-0785935-A1 BENZOPYRAN AND BENZO-FUSED COMPOUNDS, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B4' (LTB4) ANTAGONISTS PFIZER INC. (US) 1997-07-30 EP disclosed
EP-0785930-A1 BENZOPYRAN AND BENZO-FUSED COMPOUNDS, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B 4? (LTB 4?) ANTAGONISTS PFIZER INC. (US) 1997-07-30 EP disclosed
WO-1996011925-A1 BENZOPYRAN AND BENZO-FUSED COMPOUNDS, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B4' (LTB4) ANTAGONISTS PFIZER INC. (US) 1996-04-25 WO disclosed
WO-1996011920-A1 BENZOPYRAN AND BENZO-FUSED COMPOUNDS, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B4 (LTB4) ANTAGONISTS PFIZER INC. (US) 1996-04-25 WO disclosed