SCHEMBL16809557

SCHEMBL16809557

OC[C@@H](O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
GMNN O75496 1/20 0.41
EGFR P00533 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
FYN P06241 1/20 0.41
CA3 P07451 1/20 0.41
MAPT P10636 1/20 0.41
MMP9 P14780 1/20 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
SCHEMBL38665354 1.00 TSHR (0.50) TSHRGABRA1GABRB2HPGDALDH1A1
SCHEMBL3804953 1.00 TSHR (0.50) TSHRGABRA1GABRB2HPGDALDH1A1
Phenol SCHEMBL7112121 0.92 TDP1 (0.44) TSHRGABRA1GABRB2HPGDALDH1A1
SCHEMBL1549219 0.85 LMNA (0.39) TSHRGABRA1GABRB2KDM4ELMNA
SCHEMBL11306339 0.82 LMNA (0.46) TSHRGABRA1GABRB2HPGDALDH1A1
SCHEMBL9120746 0.81 TSHR (0.50) TSHRGABRA1GABRB2HPGDALDH1A1
SCHEMBL7145871 0.81 TSHR (0.50) TSHRGABRA1GABRB2HPGDALDH1A1
SCHEMBL28447429 0.80 TSHR (0.45) TSHRGABRA1GABRB2HPGDALDH1A1
Hydrochloric Acid SCHEMBL7838709 0.79 APEX1 (0.48) TSHRGABRA1GABRB2HPGDCYP3A4
SCHEMBL16797630 0.79 TSHR (0.48) TSHRGABRA1GABRB2HPGDALDH1A1

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
WO-2015088272-A9 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-10-01 WO disclosed
WO-2015088272-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-06-18 WO disclosed