SCHEMBL5329981

SCHEMBL5329981

Cc1cc(OC(C)C(=O)O)c2c(C)c(-c3ccccc3)c(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.60
▸ HPGD P15428 7/20 0.60
▸ KDM4E B2RXH2 6/20 0.60
▸ HSD17B10 Q99714 6/20 0.60
▸ RAB9A P51151 1/20 0.56
▸ APEX1 P27695 1/20 0.55
▸ MAPT P10636 2/20 0.53
▸ SAE1 Q9UBE0 1/20 0.53
▸ UBA2 Q9UBT2 1/20 0.53
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ ERAP1 Q9NZ08 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
SCHEMBL5333711 0.83 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL5330735 0.81 KDM4E (0.78) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL5325066 0.81 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL5332450 0.81 ALDH1A1 (0.78) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL5326900 0.76 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL30227915 0.71 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL27928272 0.69 ERAP1 (0.64) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL5085543 0.68 ERAP1 (0.63) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL658050 0.67 TSHR (0.54) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL27737319 0.64 KMT2A (0.57) ALDH1A1HPGDPOLBKMT2ATSHR

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
WO-2007144625-A1 2-OXO-2H-CHROMENE COMPOUNDS ARGENTA DISCOVERY LIMITED (GB) 2007-12-21 — — WO claimed
Send feedback