SCHEMBL8035771

SCHEMBL8035771

C=C(C)C(=O)OCC.O=C(COc1ccc(C=CC=Cc2cccc(O)c2)cc1)OC1C=CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HPGD P15428 3/20 0.34
NR1H4 Q96RI1 1/20 0.33
POLB P06746 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
PTPN1 P18031 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NTSR1 P30989 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2707793 0.75 LMNA (0.48) HPGDNR1H4MAPTALDH1A1LMNA
SCHEMBL8770037 0.73 RAB9A (0.37) HPGDPOLBMAPTALDH1A1CYP1A2
SCHEMBL8035838 0.71 MAOB (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8048204 0.70 NPSR1 (0.41) HPGDSLC5A1SLC5A2MAPTALDH1A1
SCHEMBL8036026 0.69 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8053329 0.69 ABCG2 (0.39) HPGDNR1H4SLC5A1SLC5A2MAPT
SCHEMBL2707013 0.68 CA12 (0.51) HPGDNR1H4MAPTALDH1A1LMNA
SCHEMBL8035524 0.68 ABCG2 (0.41) NR1H4POLBSLC5A1SLC5A2MAPT
SCHEMBL17247259 0.64 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9232648 0.63 ALDH1A1 (0.33) MAPTALDH1A1

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-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed