SCHEMBL15330723

SCHEMBL15330723

CC(Oc1cc(C=O)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
VCAM1 P19320 1/20 0.43
TTR P02766 1/20 0.42
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
ALDH3A1 P30838 2/20 0.41
TSHR P16473 1/20 0.40
HTR2A P28223 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
SCHEMBL531831 0.89 ALDH5A1 (0.50) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL2557048 0.88 ALDH1A1 (0.47) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL531788 0.87 ALDH1A1 (0.49) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL2555020 0.86 ALDH5A1 (0.47) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL15283778 0.84 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL29955812 0.83 SMN1; SMN2 (0.47) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL10844676 0.82 KMT2A (0.43) ALDH1A1KMT2ATSHRHTR2AHTR2C
SCHEMBL10843869 0.81 RAB9A (0.50) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL17241139 0.81 RAB9A (0.50) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL2559632 0.78 TUBB4A (0.45) ALDH1A1MAPTHPGDLMNAHTT

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