SCHEMBL17477706

SCHEMBL17477706

O=C(Cc1ccc(O)cc1)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
ALDH1A1 P00352 8/20 0.51
POLB P06746 7/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
ALOX15 P16050 3/20 0.51
RECQL P46063 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 2/20 0.51
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA2 P00918 2/20 0.48
CAMK2A Q9UQM7 1/20 0.48
ESR2 Q92731 3/20 0.47
ESR1 P03372 2/20 0.47
SHBG P04278 1/20 0.47

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
SCHEMBL1255897 0.86 ERCC5 (0.61) ALDH1A1POLBHPGDHSD17B10L3MBTL1
SCHEMBL18807018 0.84 ALDH1A1 (0.58) ALDH1A1POLBHPGDHSD17B10L3MBTL1
SCHEMBL28321405 0.82 SRD5A2 (0.57) ALDH1A1POLBHPGDHSD17B10L3MBTL1
SCHEMBL14548595 0.82 CTBP2 (0.49) ALDH1A1POLBHPGDHSD17B10L3MBTL1
SCHEMBL1255733 0.80 ALDH1A1 (0.54) ALDH1A1POLBHPGDHSD17B10L3MBTL1
SCHEMBL17335796 0.80 PIK3CA (0.51) ALDH1A1POLBHPGDHSD17B10L3MBTL1
SCHEMBL6490422 0.77 POLB (0.55) ALDH1A1POLBHPGDHSD17B10L3MBTL1
SCHEMBL6320074 0.76 ERCC5 (0.74) ALDH1A1POLBHPGDHSD17B10L3MBTL1
SCHEMBL1651850 0.76 CES2 (0.70) ALDH1A1POLBHPGDHSD17B10L3MBTL1
SCHEMBL14537344 0.75 ALDH1A1 (0.50) ALDH1A1POLBHPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016017840-A1 PAIN RELIEVING OR THERAPEUTIC AGENT CONTAINING GASTRODIA ELATA EXTRACT 안국약품 주식회사 2016-02-04 WO claimed
WO-2016017840-A1 PAIN RELIEVING OR THERAPEUTIC AGENT CONTAINING GASTRODIA ELATA EXTRACT 안국약품 주식회사 2016-02-04 WO disclosed
WO-2016017840-A1 PAIN RELIEVING OR THERAPEUTIC AGENT CONTAINING GASTRODIA ELATA EXTRACT 안국약품 주식회사 2016-02-04 WO disclosed