SCHEMBL8886237

SCHEMBL8886237

COC(=O)c1cccc(C[C@@H](O)CO)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HTT P42858 1/20 0.40
GLA P06280 1/20 0.40
CXCR2 P25025 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
CFTR P13569 1/20 0.39
KMT2A Q03164 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL8886818 1.00 LMNA (0.44) LMNATSHRALDH1A1MITFMAPT
SCHEMBL27859227 0.85 ALDH1A1 (0.43) LMNATSHRALDH1A1MAPTKDM4E
SCHEMBL17629550 0.81 HMGB1 (0.54) LMNAALDH1A1KDM4EHSD17B10GABRA1
SCHEMBL8887180 0.81 HMGB1 (0.54) LMNAALDH1A1KDM4EHSD17B10GABRA1
SCHEMBL8888079 0.81 HMGB1 (0.54) LMNAALDH1A1KDM4EHSD17B10GABRA1
SCHEMBL9755152 0.79 LMNA (0.53) LMNATSHRALDH1A1MITFMAPT
SCHEMBL28452243 0.79 GABRA1 (0.57) LMNATSHRALDH1A1MITFMAPT
SCHEMBL6200533 0.78 LMNA (0.33) LMNATSHRALDH1A1MITFMAPT
Dimethyl Phthalate SCHEMBL632000 0.77 TSHR (0.55) LMNATSHRALDH1A1MAPTKDM4E
SCHEMBL6274458 0.75 ALDH1A1 (0.51) LMNATSHRALDH1A1KDM4EHTT

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
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed