SCHEMBL9667152

SCHEMBL9667152

Clc1ccc([C@]2(Cn3ccnc3)CO[C@H](CBr)O2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
CYP17A1 P05093 4/20 0.44
CYP21A2 P08686 4/20 0.44
CYP11B1 P15538 3/20 0.44
ADRA1A P35348 1/20 0.43
HMOX1 P09601 2/20 0.41
ADRA2C P18825 1/20 0.41
CYP3A4 P08684 6/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX5 P09917 1/20 0.40
CYP19A1 P11511 3/20 0.40
MEN1 O00255 1/20 0.40
SLC22A1 O15245 1/20 0.40
ABCC4 O15439 1/20 0.40
CYP27B1 O15528 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
SCHEMBL10516594 1.00 USP2 (0.45) USP2ALDH1A1LMNATSHRALOX15
SCHEMBL6152239 0.86 HMOX1 (0.42) CYP11B1HMOX1CYP19A1CYP11B2
SCHEMBL6152242 0.86 HMOX1 (0.42) CYP11B1HMOX1CYP19A1CYP11B2
SCHEMBL10917859 0.84 CYP11B1 (0.53) USP2ALDH1A1LMNATSHRALOX15
SCHEMBL6151336 0.84 CYP11B1 (0.53) USP2ALDH1A1LMNATSHRALOX15
SCHEMBL10921681 0.84 CYP11B1 (0.53) USP2ALDH1A1LMNATSHRALOX15
SCHEMBL6151927 0.81 CYP3A4 (0.62) LMNATSHRADRA1AADRA2CCYP3A4
SCHEMBL6151930 0.81 CYP3A4 (0.62) LMNATSHRADRA1AADRA2CCYP3A4
SCHEMBL27566787 0.78 HMOX1 (0.41) CYP11B1HMOX1CYP19A1CYP11B2
SCHEMBL10675480 0.76 USP2 (0.46) USP2ALDH1A1LMNATSHRALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278105-B1 2,4,4-TRI- AND 2,2,4,4-TETRA-SUBSTITUTED-1,3-DIOXOLANE SCHERING CORP (US) 1992-05-06 EP disclosed
EP-0329711-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1989-08-30 EP disclosed
US-4788190-A 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane antifungal, antiallergy compounds SCHERING CORPORATION (US) 1988-11-29 US disclosed
EP-0278105-A1 2,4,4-Tri- and 2,2,4,4-tetra-substituted-1,3-dioxolane SCHERING CORPORATION (US) 1988-08-17 EP disclosed
WO-1988005048-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1988-07-14 WO disclosed