SCHEMBL8469442

SCHEMBL8469442

CCCCOc1ccc(CCC)c(OCCCC)c1/C=C/C(=O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.56
MAOB P27338 1/20 0.46
DPP4 P27487 1/20 0.42
PTPN1 P18031 1/20 0.42
CAPN1 P07384 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL7187779 1.00 ABCG2 (0.56) ABCG2MAOBDPP4PTPN1CAPN1
SCHEMBL7179925 0.94 ABCG2 (0.54) ABCG2MAOBDPP4CAPN1LMNA
SCHEMBL7178891 0.90 ABCG2 (0.44) ABCG2DPP4PTPN1LMNAALDH1A1
SCHEMBL7187705 0.89 ABCG2 (0.51) ABCG2MAOBCAPN1LMNAALDH1A1
SCHEMBL7187702 0.89 ABCG2 (0.51) ABCG2MAOBCAPN1LMNAALDH1A1
SCHEMBL7191014 0.88 ABCG2 (0.53) ABCG2MAOBDPP4PTPN1CAPN1
SCHEMBL7185393 0.88 ABCG2 (0.42) ABCG2MAOBDPP4PTPN1BCHE
SCHEMBL7187064 0.88 ABCG2 (0.42) ABCG2DPP4PTPN1LMNAALDH1A1
SCHEMBL7187794 0.88 ABCG2 (0.45) ABCG2MAOBDPP4PTPN1BCHE
SCHEMBL7186152 0.87 ABCG2 (0.59) ABCG2MAOBDPP4PTPN1CAPN1

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
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed