SCHEMBL7965892

SCHEMBL7965892

c1ccc(Oc2ccc(OC[C@H]3CO3)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.85
ALDH1A1 P00352 4/20 0.65
TP53 P04637 3/20 0.65
TSHR P16473 3/20 0.65
HIF1A Q16665 2/20 0.65
CYP3A4 P08684 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
PKM P14618 2/20 0.57
CYP1A2 P05177 1/20 0.57
PPARG P37231 1/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
GLA P06280 1/20 0.51
LTA4H P09960 6/20 0.50
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49

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
SCHEMBL7120276 1.00 TDP1 (0.85) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL6939833 1.00 TDP1 (0.85) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL19813836 0.92 TDP1 (0.70) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL1170566 0.92 TDP1 (0.70) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL1582872 0.92 TDP1 (1.00) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL31220 0.92 TDP1 (1.00) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL1583161 0.92 TDP1 (1.00) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL17028904 0.92 TDP1 (1.00) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL5966348 0.91 TDP1 (0.70) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL5966322 0.91 TDP1 (0.70) TDP1ALDH1A1TP53TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed