SCHEMBL6429958

SCHEMBL6429958

C=CC(N)OC(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 6/20 0.46
HSD17B10 Q99714 4/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 8/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HMGB1 P09429 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
NAPRT Q6XQN6 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
SCHEMBL10710425 0.82 CYP3A4 (0.38) TSHRHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL10540667 0.81 LMNA (0.50) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL6555122 0.80 LMNA (0.53) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL1131580 0.78 HPGD (0.47) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL1493619 0.77 TSHR (0.53) TSHRLMNATDP1ALDH1A1MAPT
SCHEMBL5195832 0.77 LMNA (0.58) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL10435253 0.77 LMNA (0.49) LMNATDP1ALDH1A1SMN1; SMN2HTT
SCHEMBL3026390 0.74 LMNA (0.58) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL28842278 0.73 LMNA (0.53) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL7613313 0.73 TDP1 (0.49) TSHRLMNAHPGDHSD17B10ALOX15

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
US-20050037375-A1 Screening method for ligand-protein interactions CURAGEN CORPORATION 2005-02-17 US disclosed
EP-1135681-A1 THREE-HYBRID SCREENING METHOD FOR LIGAND-PROTEIN INTERACTIONS Curagen Corporation (US) 2001-09-26 EP disclosed
WO-2000007018-A2 THREE-HYBRID SCREENING METHOD FOR LIGAND-PROTEIN INTERACTIONS CURAGEN CORPORATION (US) 2000-02-10 WO disclosed