SCHEMBL21165775

SCHEMBL21165775

C=C(CC)CSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
FKBP1A P62942 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 2/20 0.38
PPARD Q03181 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 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
SCHEMBL18950168 0.84 FFAR1 (0.48) FFAR1ALDH1A1MAPK1TSHRMEN1
SCHEMBL1930612 0.78 FFAR1 (0.56) FFAR1ALDH1A1MAPK1TSHRMEN1
SCHEMBL11569786 0.78 FFAR1 (0.60) FFAR1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL13461018 0.75 FFAR1 (0.63) FFAR1ALDH1A1MAPK1TSHRMEN1
SCHEMBL27349127 0.75 FFAR1 (0.47) FFAR1ALDH1A1MAPK1TSHRMEN1
SCHEMBL9732673 0.74 FFAR1 (0.56) FFAR1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL8635941 0.73 FFAR1 (0.61) FFAR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL94582 0.73 FFAR1 (0.60) FFAR1ALDH1A1MAPK1TSHRMEN1
SCHEMBL194865 0.72 FFAR1 (0.65) FFAR1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL13603798 0.72 LMNA (0.56) ALDH1A1TSHRMEN1KMT2ANPC1

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-2019139365-A1 NOVEL PHENYLSULFONYL OXAZOLE DERIVATIVE AND USE THEREOF 경북대학교 산학협력단 2019-07-18 WO disclosed