SCHEMBL8180907

SCHEMBL8180907

CCOC(=O)c1cc(F)ccc1I

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 1/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MAPT P10636 4/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL4628672 0.84 TSHR (0.60) TSHRKDM4ELMNASMN1; SMN2TDP1
SCHEMBL26586781 0.83 CES2 (0.39) TSHRKDM4ELMNASMN1; SMN2TDP1
SCHEMBL30755337 0.83 TSHR (0.57) TSHRKDM4ELMNASMN1; SMN2TDP1
SCHEMBL14048740 0.83 TSHR (0.53) TSHRKDM4ELMNASMN1; SMN2TDP1
SCHEMBL1997075 0.83 TSHR (0.60) TSHRKDM4ELMNASMN1; SMN2TDP1
SCHEMBL10562029 0.83 TSHR (0.57) TSHRKDM4ELMNASMN1; SMN2TDP1
SCHEMBL11933660 0.81 TSHR (0.56) TSHRKDM4ELMNASMN1; SMN2TDP1
SCHEMBL14841131 0.81 CA12 (0.57) TSHRKDM4ELMNASMN1; SMN2POLB
SCHEMBL3895996 0.81 CA12 (0.70) TSHRKDM4ELMNASMN1; SMN2TDP1
SCHEMBL1151008 0.81 SLC6A4 (0.47) TSHRKDM4ELMNASMN1; SMN2HPGD

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 7 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-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