SCHEMBL7829964

SCHEMBL7829964

COc1ccc(-c2c(C(=O)O)c(CSc3nccc(=O)[nH]3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ GUSB P08236 1/20 0.36
▸ SLC10A2 Q12908 1/20 0.36
▸ MET P08581 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36

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
SCHEMBL7829897 0.90 SLC10A2 (0.48) ALDH1A1TSHRHSD17B10CASP1MAPT
SCHEMBL7821021 0.83 MAPK1 (0.53) ALDH1A1TSHRMAPTHPGDMAPK1
SCHEMBL7831401 0.82 SMN1; SMN2 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7833380 0.80 AMY1A (0.47) ALDH1A1MAPTKMT2AMAPK1LMNA
SCHEMBL7833366 0.80 MAPT (0.42) ALDH1A1MAPTKMT2AHPGDMAPK1
SCHEMBL7832560 0.80 TDP1 (0.40) ALDH1A1TSHRHSD17B10MAPTMEN1
SCHEMBL7834035 0.80 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10CASP1MAPT
SCHEMBL7836104 0.79 FABP3 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14917022 0.79 PDE5A (0.48) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8121664 0.78 FABP3 (0.53) ALDH1A1HSD17B10MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
Send feedback