SCHEMBL9680252

SCHEMBL9680252

COc1ccccc1NC(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.58
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL9680708 0.85 LPAR1 (0.49) LPAR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9680221 0.84 KMT2A (0.49) LMNAMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL9678803 0.82 KMT2A (0.50) LMNAMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL27333169 0.80 MAPT (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9851048 0.80 KMT2A (0.54) LMNAMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL9678925 0.79 LPAR1 (0.49) LPAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL9851004 0.78 KMT2A (0.51) LPAR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9681037 0.77 KMT2A (0.47) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9679595 0.77 NLRP3 (0.49) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9680196 0.73 KMT2A (0.45) LMNAMEN1KMT2ATDP1SMN1; SMN2

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
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed