SCHEMBL8289226

SCHEMBL8289226

CC(C)Cc1ccc(OCF)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.43
▸ PTGS2 P35354 4/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ ACACB O00763 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ CXCR1 P25024 2/20 0.40
▸ CXCR2 P25025 2/20 0.40
▸ ALB P02768 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ NR1I3 Q14994 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ CXCL8 P10145 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL25443770 0.83 TDP1 (0.48) SLC6A4ACACB
SCHEMBL15307617 0.81 SLC2A1 (0.49) ACACB
SCHEMBL13155583 0.81 ACACB (0.53) SLC6A4ACACBLMNACYP2C9ADRB3
SCHEMBL5018760 0.81 NQO1 (0.61) ACACBTSHR
SCHEMBL13017076 0.79 CYP17A1 (0.46) SLC6A4ACACBLMNACYP2C9
SCHEMBL4575613 0.78 SLC6A4 (0.48) PTGS1PTGS2SLC6A4LMNACYP2C9
SCHEMBL15307616 0.78 PPARD (0.43) SLC6A4
SCHEMBL13889410 0.78 LMNA (0.54) ACACBLMNA
SCHEMBL5018882 0.78 TDP1 (0.63) LMNA
SCHEMBL5018832 0.78 KDM4E (0.53) ACACBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005030191-A1 ((((1H-INDOL-3YL) METHYLIDENE)AMINO)OXY)ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF INPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 — — WO disclosed
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