SCHEMBL20245219

SCHEMBL20245219

CCCC(=O)NCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
HPGD P15428 2/20 0.68
MAPT P10636 3/20 0.57
FFAR1 O14842 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
RAB9A P51151 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC1 Q13547 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
POLB P06746 1/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
HAO1 Q9UJM8 1/20 0.50
AGTR1 P30556 1/20 0.50
USP2 O75604 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL9850156 0.90 CYP3A4 (0.53) SMN1; SMN2L3MBTL1HPGDMAPTCYP1A2
SCHEMBL20245315 0.82 HSD17B3 (0.65) SMN1; SMN2L3MBTL1HPGDRAB9AKDM4E
SCHEMBL3733726 0.81 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1HPGDMAPTFFAR1
SCHEMBL20245318 0.81 ALDH1A1 (0.50) SMN1; SMN2L3MBTL1HPGDMAPTLMNA
SCHEMBL7327582 0.81 ALDH1A1 (0.55) SMN1; SMN2HDAC1ALDH1A1HDAC8POLB
SCHEMBL20245203 0.81 HDAC1 (0.49) HPGDMAPTHDAC1ALDH1A1HDAC8
SCHEMBL7434935 0.80 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1HPGDMAPTFFAR1
SCHEMBL11095908 0.79 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1HPGDMAPTFFAR1
SCHEMBL7021562 0.79 EPHX2 (0.60) HPGDHDAC1HDAC8KMT2AMEN1
SCHEMBL20245173 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HPGDMAPTLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3332645-A1 USE OF SUBSTITUTED PYRIMIDINE DIONES OR THEIR SALTS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS Bayer Cropscience AG (DE) 2018-06-13 EP disclosed