SCHEMBL21815230

SCHEMBL21815230

CCOCCOc1n[nH]cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.43
RARA P10276 3/20 0.43
RARG P13631 2/20 0.43
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 1/20 0.41
PTK2B Q14289 1/20 0.41
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
GRM4 Q14833 2/20 0.36
KDM5B Q9UGL1 3/20 0.35
KDM6B O15054 3/20 0.35
KDM4A O75164 3/20 0.35
KDM4D Q6B0I6 3/20 0.35
HIF1AN Q9NWT6 3/20 0.35
KDM2A Q9Y2K7 3/20 0.35
KDM3B Q7LBC6 2/20 0.35
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3263726 0.85 TSHR (0.42) ALDH1A1KMT2AKDM4EKDM5BKDM6B
SCHEMBL21804494 0.85 TSHR (0.49) RARBRARARARGALDH1A1KMT2A
SCHEMBL21815219 0.79 GRM4 (0.36) RARBRARARARGALDH1A1KDM4E
SCHEMBL21804283 0.78 TSHR (0.47) ALDH1A1KMT2AKDM4ETSHRHSD17B10
SCHEMBL21803940 0.76 TSHR (0.45) ALDH1A1KMT2AKDM4EPOLBTSHR
SCHEMBL17786779 0.73 TSHR (0.49) ALDH1A1KMT2AKDM4EPOLBTSHR
SCHEMBL21815216 0.73 CCNE2 (0.37) ALDH1A1TSHRHTTSMN1; SMN2MAPK1
SCHEMBL18018335 0.72 TDP1 (0.47) ALDH1A1KDM4EPOLBKDM6BKDM4A
Phthalic Acid SCHEMBL3684062 0.72 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BKDM4EPOLB
SCHEMBL23009908 0.72 KDM6B (0.40) ALDH1A1KDM4EKDM5BKDM6BKDM4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856188-A1 AMINOPYRIMIDINE COMPOUND Cardurion Pharmaceuticals, LLC (US) 2021-08-04 EP disclosed
WO-2020068854-A1 AMINOPYRIMIDINE COMPOUND CARDURION PHARMACEUTICALS, LLC (US) 2020-04-02 WO disclosed