SCHEMBL15329686

SCHEMBL15329686

CC(C)[C@@H](N)c1cc(C=O)ccn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.33
CYP2A6 P11509 1/20 0.33
AKT1 P31749 1/20 0.31
ALDH1A3 P47895 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
FDPS P14324 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2554013 1.00 TYR (0.33) TYRCYP2A6AKT1ALDH1A3ALDH1A1
SCHEMBL2554581 0.86 TYR (0.35) TYRCYP2A6AKT1ALDH1A3ALDH1A1
SCHEMBL2560561 0.86 TYR (0.35) TYRCYP2A6AKT1ALDH1A3ALDH1A1
SCHEMBL7427768 0.82 TYR (0.42) TYRCYP2A6ALDH1A3ALDH1A1TSHR
SCHEMBL2559450 0.79
SCHEMBL15331995 0.79
SCHEMBL841444 0.79 TYR (0.35) TYRCYP2A6ALDH1A3ALDH1A1TSHR
SCHEMBL15329693 0.78 ALDH1A1 (0.35) ALDH1A3ALDH1A1TSHRFDPS
SCHEMBL2560556 0.78 ALDH1A1 (0.35) ALDH1A3ALDH1A1TSHRFDPS
SCHEMBL15332272 0.76 FDPS (0.30) FDPS

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