SCHEMBL8305078

SCHEMBL8305078

BrCC#Cc1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
PLCG1 P19174 1/20 0.30
IDO1 P14902 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL5175910 0.80 CYP2C19 (0.50) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL29144735 0.80 FFAR1 (0.42) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL2466535 0.80 FFAR1 (0.47) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL30468202 0.80 FFAR1 (0.47) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL11174673 0.78 FFAR1 (0.38) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL19302890 0.77 ALDH1A1 (0.47) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL15353223 0.77 TLR8 (0.45) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL436732 0.76 MME (0.40) TAAR1
SCHEMBL8307761 0.76 TSHR (0.46) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8302074 0.76 KCNH2 (0.44) FFAR1ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749430-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PROD (US) 1999-08-25 EP disclosed
US-5605918-A SUBSTITUTED THIAZOLIDINE-2,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-25 US disclosed
US-5574051-A HYPOGLYCEMIC AMERICAN HOME PRODUCTS CORPORATION (US) 1996-11-12 US disclosed
WO-1995024400-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-14 WO disclosed