SCHEMBL8396641

SCHEMBL8396641

CSc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.52
MMP8 P22894 1/20 0.52
MMP12 P39900 1/20 0.52
PPARG P37231 8/20 0.52
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 1/20 0.46
TBXA2R P21731 1/20 0.46
ACHE P22303 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 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
SCHEMBL8393289 0.90 PPARG (0.52) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8392654 0.89 PPARG (0.53) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8393455 0.87 AGTR1 (0.54) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8391700 0.87 PPARG (0.54) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8395491 0.87 PPARG (0.54) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8394659 0.87 PPARG (0.54) MMP7MMP8MMP12PPARGAGTR1
SCHEMBL8396546 0.87 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL8394173 0.86 PPARG (0.61) PPARGAGTR1AGTR2
SCHEMBL8392458 0.86 PPARG (0.69) PPARGAGTR1AGTR2
SCHEMBL9040518 0.85 MMP7 (0.53) MMP7MMP8MMP12PPARGAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed