SCHEMBL9778026

SCHEMBL9778026

COC(=O)CCc1ccc(C(O)CNC(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADRB3 P13945 3/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36

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
SCHEMBL9778048 0.87 CYP4F2 (0.44) GAASMN1; SMN2NPC1CYP4F2CYP4A11
SCHEMBL10592416 0.77 ALOX15 (0.48) ADRB2ADRB1GAAKDM4ESMN1; SMN2
SCHEMBL9777984 0.76 MAPT (0.42) ADRB2ADRB1GAANPC1IDO1
Hydrochloric Acid SCHEMBL9274562 0.75 ADRB2 (0.47) ADRB2ADRB1KDM4ETDP1IDO1
SCHEMBL9777978 0.75 SLC7A5 (0.44) ADRB2ADRB1GAAADRB3NPC1
SCHEMBL7298224 0.75 F10 (0.47) ADRB2ADRB1SMN1; SMN2NPC1
SCHEMBL28443553 0.74 ADRB2 (0.48) ADRB2ADRB1TDP1IDO1CYP4F2
SCHEMBL9237174 0.74 TDP1 (0.50) ADRB2ADRB1GAAKDM4ESMN1; SMN2
SCHEMBL9271016 0.74 MEN1 (0.50) ADRB2ADRB1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL9269317 0.74 F10 (0.46) ADRB2ADRB1SMN1; SMN2NPC1

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-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 — — US disclosed
EP-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 — — EP disclosed
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