SCHEMBL6207827

SCHEMBL6207827

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
HSD17B10 Q99714 4/20 0.52
TSHR P16473 2/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 2/20 0.52
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL11339716 0.82 LMNA (0.56) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL31424058 0.82 LMNA (0.56) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9561863 0.81 LMNA (0.59) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL10780992 0.81 HPGD (0.59) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6207031 0.81 CES2 (0.47) HPGDALDH1A1MAPTLMNAALOX15
SCHEMBL6205116 0.81 NPC1 (0.50) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6206781 0.81 RAB9A (0.50) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL3908136 0.80 LMNA (0.68) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL29525350 0.80 LMNA (0.68) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6208809 0.78 HPGD (0.51) HPGDALDH1A1HSD17B10TSHRMAPT

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
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed