SCHEMBL8020309

SCHEMBL8020309

CCON=C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
SRD5A2 P31213 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL8020305 1.00 POLB (0.46) POLBSMN1; SMN2ALOX15TSHRERCC5
SCHEMBL11541352 0.86 SMN1; SMN2 (0.46) POLBSMN1; SMN2ALOX15TSHRL3MBTL1
SCHEMBL11541350 0.86 SMN1; SMN2 (0.46) POLBSMN1; SMN2ALOX15TSHRL3MBTL1
SCHEMBL7832135 0.85 HTT (0.42) POLBSMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL7922301 0.83 SMN1; SMN2 (0.49) POLBSMN1; SMN2TSHRL3MBTL1MAPT
SCHEMBL8022234 0.82 POLB (0.49) POLBSMN1; SMN2ALOX15TSHRERCC5
SCHEMBL8022236 0.82 POLB (0.49) POLBSMN1; SMN2ALOX15TSHRERCC5
SCHEMBL31264414 0.82 POLB (0.49) POLBSMN1; SMN2ALOX15TSHRERCC5
SCHEMBL7822539 0.81 ERCC5 (0.49) SMN1; SMN2ERCC5FEN1NPC1RAB9A
SCHEMBL9660178 0.80 HSP90AA1 (0.50) POLBSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed