SCHEMBL2553344

SCHEMBL2553344

O=Cc1ccc(OCC(=O)NCC2CC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 3/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
FAAH O00519 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL29954636 0.84 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL29953203 0.84 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2TSHRKMT2A
SCHEMBL2551810 0.84 NPC1 (0.60) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2556836 0.82 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2561346 0.81 RAB9A (0.68) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2556936 0.81 FAAH (0.50) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL15330231 0.80 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2555246 0.80 SMN1; SMN2 (0.71) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL15332288 0.79 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL29953899 0.79 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2LMNAFAAH

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