SCHEMBL9869972

SCHEMBL9869972

COc1cc(C2C(C(=O)O)=C(C)NC(=S)N2C)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9870900 0.84 ATM (0.45) ATMTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL9871298 0.82 ATM (0.47) ATMALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9690101 0.78 KMT2A (0.43) ATMTSHRALDH1A1KDM4EMAPT
SCHEMBL9870418 0.78 GAA (0.47) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9870211 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL9870854 0.76 ALDH1A1 (0.43) ATMALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9869833 0.73 CACNA1F (0.42) ATMALDH1A1MAPTLMNA
SCHEMBL9870706 0.70 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EMAPTGAA
SCHEMBL9871899 0.69 CACNA1F (0.60) ALDH1A1SMN1; SMN2GAALMNAHPGD
SCHEMBL15247242 0.68 MAPT (0.53) ALDH1A1KDM4EMAPTGAALMNA

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-5071849-A Antiinflammatory, antianginal agent EGIS GYOGYSZERGYAR (HU) 1991-12-10 US disclosed