SCHEMBL2555538

SCHEMBL2555538

O=C(O)CCc1ccccc1N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.54
FABP4 P15090 1/20 0.54
NPC1 O15118 1/20 0.49
KMT2A Q03164 4/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
KCNQ2 O43526 2/20 0.44
PKM P14618 1/20 0.44
PLK1 P53350 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
KEAP1 Q14145 2/20 0.43
TPH1 P17752 2/20 0.42

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
SCHEMBL29956353 1.00 FABP3 (0.54) FABP3FABP4NPC1KMT2AGAA
SCHEMBL15330885 0.98 FABP3 (0.52) FABP3FABP4NPC1KMT2AGAA
SCHEMBL28085384 0.86 NPC1 (0.47) FABP3FABP4NPC1KMT2AGAA
SCHEMBL11766268 0.84 HTR1A (0.55) TSHRALDH1A1
SCHEMBL8683997 0.81 FABP3 (0.55) FABP3FABP4NPC1KMT2AGAA
Bromide SCHEMBL8998015 0.80 FABP3 (0.53) FABP3FABP4NPC1KMT2AGAA
SCHEMBL2558196 0.79 KMT2A (0.59) FABP3FABP4NPC1KMT2AGAA
SCHEMBL2558725 0.78 FABP3 (0.59) FABP3FABP4NPC1KMT2AGAA
Ammonia Solution, Strong SCHEMBL7888875 0.78 KEAP1 (0.47) FABP3FABP4NPC1KMT2AGAA
SCHEMBL6063557 0.78 FFAR4 (0.48) FABP3FABP4KMT2A

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 7 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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed