SCHEMBL29950872

SCHEMBL29950872

CCCCCc1ccc(-c2ccc(B(O)O)c(F)c2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 4/20 0.53
▸ LIPG Q9Y5X9 4/20 0.53
▸ TRPV1 Q8NER1 1/20 0.51
▸ MGLL Q99685 1/20 0.51
▸ RARB P10826 9/20 0.50
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ RARA P10276 2/20 0.44
▸ RARG P13631 1/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ TACR2 P21452 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SHBG P04278 1/20 0.44

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
SCHEMBL7764726 1.00 LPL (0.53) LPLLIPGTRPV1MGLLRARB
SCHEMBL7789321 0.99 LIPG (0.54) LPLLIPGTRPV1MGLLRARB
SCHEMBL7786816 0.99 LIPG (0.54) LPLLIPGTRPV1MGLLRARB
SCHEMBL16572151 0.95 CA1 (0.51) LPLLIPGTRPV1MGLLRARB
SCHEMBL2910682 0.89 LPL (0.49) LPLLIPGTRPV1MGLLRARB
SCHEMBL9494022 0.87 RARB (0.56) LPLLIPGRARBRARARARG
SCHEMBL9494416 0.86 RARB (0.58) LPLLIPGRARBRARARARG
SCHEMBL9493895 0.86 RARB (0.55) RARBRARARARGESR1ADRA2A
SCHEMBL9494662 0.86 RARB (0.58) LPLLIPGRARBRARARARG
SCHEMBL9493483 0.86 RARB (0.58) LPLLIPGRARBRARARARG

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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