SCHEMBL10334372

SCHEMBL10334372

CC1(C(=O)CBr)COc2ccc(Cl)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 2/20 0.38
KDM4E B2RXH2 3/20 0.37
TP53 P04637 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
ALOX12 P18054 2/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
GAA P10253 1/20 0.35
MAP3K14 Q99558 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMO O15229 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL10334530 0.95 ALPG (0.38) ALPGKDM4ETP53HSD17B10MAPT
SCHEMBL10334331 0.85 AKR1B1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3518175 0.83 NPC1 (0.41) ALPGTP53HSD17B10MAPTLMNA
SCHEMBL10334356 0.83 NPC1 (0.39) ALPGKDM4ETP53HSD17B10MAPT
SCHEMBL10334532 0.82 ALPG (0.41) ALPGKDM4ETP53HSD17B10MAPT
SCHEMBL10335039 0.81 ALOX15 (0.41) TP53MAPTALDH1A1NPC1RAB9A
SCHEMBL10334534 0.78 GPX4 (0.36) KDM4ETP53HSD17B10MAPTALDH1A1
SCHEMBL10334527 0.77 HTR2B (0.41) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL10334301 0.77 NPC1 (0.39) ALPGKDM4ETP53HSD17B10MAPT
SCHEMBL10334237 0.77 NPC1 (0.39) ALPGKDM4ETP53HSD17B10MAPT

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-4948797-A 2,2-disubstitued 2,3-dihydro-1,4-benzodioxin derivatives having hypotensive activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1990-08-14 US disclosed
EP-0367888-A1 2,2-Disubstituted 2,3-dihydro-1,4-benzodioxin derivatives having hypotensive activity ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1990-05-16 EP disclosed