SCHEMBL15330233

SCHEMBL15330233

O=C(NC1(c2ccc(B(O)O)cc2)CC1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 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
SCHEMBL5097407 0.87 MIF (0.49) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL12133695 0.83 SLC6A2 (0.45) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL15873873 0.83 CTSL (0.47) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL11738507 0.82 CTSL (0.46) CTSLCTSBCTSSLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL15873872 0.82 CTSL (0.46) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL2989044 0.81 CTSS (0.56) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL15873928 0.81 CTSL (0.51) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL27875249 0.80 RAB9A (0.49) NPC1RAB9A
SCHEMBL18383469 0.80 CTSB (0.49) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL5948026 0.78 NPC1 (0.51) CTSLCTSBCTSSSMN1; SMN2CA12

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed