SCHEMBL9526431

SCHEMBL9526431

O=C(Cc1cccc(OCc2ccccc2)c1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.69
MAOB P27338 1/20 0.66
PTPN1 P18031 1/20 0.63
SMPD1 P17405 1/20 0.62
SRD5A2 P31213 1/20 0.61
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
FFAR1 O14842 2/20 0.58
LTB4R Q15722 1/20 0.58
LTB4R2 Q9NPC1 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NR1H4 Q96RI1 1/20 0.54
NAAA Q02083 1/20 0.54
BCHE P06276 1/20 0.54

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
SCHEMBL7901142 0.91 NR4A2 (0.74) NR4A2MAOBPTPN1SMPD1SRD5A2
SCHEMBL954459 0.85 NR4A2 (0.66) NR4A2MAOBPTPN1SMPD1SRD5A2
SCHEMBL1122713 0.83 NR4A2 (0.94) NR4A2MAOBSMPD1SRD5A2TSHR
SCHEMBL904248 0.83 CTBP2 (0.60) MRGPRX4MEN1KMT2A
SCHEMBL30342076 0.83 CTBP2 (0.60) MRGPRX4MEN1KMT2A
SCHEMBL2790268 0.83 NR4A2 (0.62) NR4A2MAOBPTPN1SMPD1SRD5A2
SCHEMBL2848980 0.83 NR4A2 (0.62) NR4A2MAOBSMPD1SRD5A2TSHR
SCHEMBL670027 0.83 MAOB (0.68) NR4A2MAOBPTPN1SMPD1SRD5A2
SCHEMBL14432660 0.82 NR4A2 (0.55) NR4A2MAOBPTPN1SMPD1SRD5A2
SCHEMBL4220632 0.82 NR4A1 (0.72) NR4A2MAOBPTPN1SRD5A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed
EP-0079168-A1 Process for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane and intermediates therefor PFIZER INC. (US) 1983-05-18 EP disclosed
US-4360700-A Intermediates for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane PFIZER INC. (US) 1982-11-23 US disclosed