SCHEMBL11583826

SCHEMBL11583826

COc1cccc(OC(=O)c2ccc(S(=O)(=O)O)cc2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ AKR1C3 P42330 3/20 0.43
▸ AKR1C2 P52895 3/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ PRSS1 P07477 1/20 0.41
▸ ACR P10323 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40

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
SCHEMBL11583246 0.88 MAPT (0.54) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL11584035 0.87 LMNA (0.47) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL11583837 0.86 S1PR3 (0.46) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11585100 0.86 KDM4E (0.51) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL11585598 0.86 ALDH1A1 (0.46) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL11583633 0.85 S1PR3 (0.44) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL11585131 0.85 KDM4E (0.44) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL11583353 0.85 ALDH1A1 (0.44) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL11585603 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10PRSS1
SCHEMBL11583279 0.81 F2 (0.51) MAPTKDM4EALDH1A1HPGDHSD17B10

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
US-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 — — US disclosed
Send feedback