SCHEMBL9777982

SCHEMBL9777982

O=C(O)CCc1ccc(C(=O)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MMP1 P03956 1/20 0.54
MAPT P10636 1/20 0.53
FFAR1 O14842 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
DNMT1 P26358 1/20 0.51
CASP6 P55212 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TBXA2R P21731 1/20 0.50
TBXAS1 P24557 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTPN1 P18031 1/20 0.47
TMPRSS6 Q8IU80 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL10592411 0.87 MMP1 (0.55) ALDH1A1MMP1L3MBTL1MEN1KMT2A
SCHEMBL9777976 0.86 ALDH1A1 (0.59) ALDH1A1MAPTFFAR1TDP1TBXAS1
SCHEMBL9777957 0.85 ALDH1A1 (0.64) ALDH1A1MMP1MAPTFFAR1TBXA2R
SCHEMBL9777991 0.84 ALDH1A1 (0.64) ALDH1A1MAPTFFAR1TDP1TBXAS1
SCHEMBL9777971 0.84 TBXA2R (0.59) ALDH1A1MAPTTBXA2RTBXAS1NPSR1
SCHEMBL9778006 0.84 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1KMT2ALMNA
SCHEMBL5899468 0.83 MEN1 (0.67) ALDH1A1MMP1L3MBTL1MEN1KMT2A
SCHEMBL28542669 0.81 MMP1 (0.60) ALDH1A1MMP1MAPTMEN1KMT2A
SCHEMBL9777950 0.81 TSHR (0.59) ALDH1A1MAPTFFAR1TBXA2RTBXAS1
SCHEMBL2702351 0.79 MMP1 (0.72) ALDH1A1MMP1MEN1KMT2APOLB

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
US-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed