SCHEMBL9859846

SCHEMBL9859846

CCOC(=O)C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 5/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL18734638 0.83 RAB9A (0.50) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL9661207 0.79 ALDH1A1 (0.50) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL12264635 0.77 ALDH1A1 (0.46) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL18719421 0.76 ALDH1A1 (0.45) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL1507996 0.74 KMT2A (0.54) HPGDSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL1128796 0.74 CES2 (0.59) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL11341286 0.73 ALDH1A1 (0.45) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL11341283 0.73 ALDH1A1 (0.45) NPC1RAB9AHPGDTSHRSMN1; SMN2
SCHEMBL9859450 0.72 MAPT (0.53) HPGDSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL9855514 0.72 MAPT (0.53) HPGDSMN1; SMN2MAPTALDH1A1MEN1

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-0430129-A2 Novel phenylethylene derivatives, processes for preparing the same and intermediates therefor TANABE SEIYAKU CO., LTD. (JP) 1991-06-05 EP disclosed