SCHEMBL8608367

SCHEMBL8608367

CCOc1ccc(COCCCc2ccccc2C(=O)SC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.43
NPC1 O15118 9/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL7347241 0.88 L3MBTL1 (0.51) NPC1TP53L3MBTL1FFAR1FFAR4
SCHEMBL8608369 0.81 L3MBTL1 (0.41) RAB9ANPC1TP53MAPTLMNA
SCHEMBL7778557 0.74 L3MBTL1 (0.53) NPC1TP53L3MBTL1FFAR1FFAR4
SCHEMBL28284271 0.73 TSHR (0.42) TP53LMNAL3MBTL1HTTTDP1
SCHEMBL2449732 0.72 LIPG (0.49) TP53MAPK1
SCHEMBL7346161 0.70 L3MBTL1 (0.58) TP53L3MBTL1KMT2AMEN1TDP1
SCHEMBL7336813 0.70 FOLH1 (0.40) MAPTLMNAHTTSMN1; SMN2KDM4E
SCHEMBL26216122 0.70 KDR (0.43) TP53LMNAL3MBTL1HTTKMT2A
SCHEMBL19951068 0.69 ALDH1A1 (0.51) RAB9ANPC1MAPTLMNAL3MBTL1
SCHEMBL7347243 0.69 L3MBTL1 (0.53) LMNAL3MBTL1KMT2AMEN1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed