SCHEMBL7725329

SCHEMBL7725329

C=CCOc1ccc(-c2cc(CCC(=O)OC)ccc2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
MGAM O43451 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
ALOX5 P09917 5/20 0.41
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
CNR2 P34972 3/20 0.41
PTPN1 P18031 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR1 P21554 2/20 0.40
BACE1 P56817 1/20 0.40
FFAR1 O14842 1/20 0.39
VDR P11473 1/20 0.39
PPARD Q03181 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39

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
SCHEMBL11023299 0.84 ADRB2 (0.53) ADRB2ADRB1MEN1KMT2AFFAR1
SCHEMBL29100417 0.83 ALOX5 (0.55) GAAMGAMSIMGAM2ALOX5
SCHEMBL7734877 0.82 BCHE (0.50) PTPN1FFAR1
SCHEMBL7734908 0.81 PTPN1 (0.48) GAAALOX5GABRA1GABRB2CNR2
SCHEMBL10704484 0.79 PTPN1 (0.46) ALOX5GABRA1GABRB2PTPN1MEN1
SCHEMBL7737580 0.79 PTPN1 (0.60) GAAALOX5GABRA1GABRB2CNR2
SCHEMBL22982794 0.77 KDM4E (0.52) GAAADRB2ADRB1PPARD
SCHEMBL12646491 0.77 VDR (0.47) GAAFFAR1VDRPPARDRXRA
SCHEMBL3685390 0.76 CCNC (0.58) ALOX5GABRA1GABRB2PTPN1BACE1
SCHEMBL11281192 0.74 ADRB2 (0.49) ADRB2ADRB1MEN1KMT2AFFAR1

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
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed