SCHEMBL11052292

SCHEMBL11052292

CCC(=O)c1ccc(Oc2ccc(C(=O)CC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
RAB9A P51151 6/20 0.58
HPGD P15428 4/20 0.58
SMN1; SMN2 Q16637 7/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 4/20 0.52
PARP15 Q460N3 1/20 0.52
PARP14 Q460N5 1/20 0.52
PARP10 Q53GL7 1/20 0.52
PARP16 Q8N5Y8 1/20 0.52
PARP11 Q9NR21 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 1/20 0.52
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL1269735 0.92 ERCC5 (0.64) MAPTRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL11955348 0.92 KMT2A (0.64) MAPTRAB9ANPC1KMT2AALDH1A1
SCHEMBL6061938 0.92 PARP10 (0.58) MAPTRAB9AHPGDSMN1; SMN2NPC1
SCHEMBL4680969 0.90 HTR7 (0.53) MAPTRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL6142684 0.90 SRD5A2 (0.53) MAPTRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL6142809 0.90 MMP1 (0.59) MAPTRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9473821 0.87 HAO1 (0.47) MAPTRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7860509 0.87 SMN1; SMN2 (0.79) MAPTRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL22548713 0.87 ABCB1 (0.48) MAPTRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9607172 0.86 EPHX2 (0.52) MAPTRAB9ASMN1; SMN2NPC1KMT2A

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
US-4483984-A Phenoxiodinin-5-ium antimicrobial compounds THE DOW CHEMICAL COMPANY (US) 1984-11-20 US disclosed
US-4440943-A BACTERICIDES; FUNGICIDES; ANTICARIES AGENTS; ORAL DISEASES THE DOW CHEMICAL COMPANY (US) 1984-04-03 US disclosed