SCHEMBL9870428

SCHEMBL9870428

O=C(O)CCCCC1Oc2ccccc2C(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
EGFR P00533 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP1 P11387 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 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
SCHEMBL10604647 0.84 CES2 (0.39) EDNRBEDNRA
SCHEMBL11102826 0.80 HTT (0.47) EGFRHTTKMT2AKDM4E
SCHEMBL21396062 0.80 LMNA (0.49) EGFR
SCHEMBL19302753 0.74 KDM4E (0.55) KMT2AKDM4E
Rac-3-N-Butylphthalide SCHEMBL28830050 0.72 MAOB (0.48) KMT2A
SCHEMBL28062991 0.72 KMT2A (0.57) EGFRKMT2ATOP1
SCHEMBL11113459 0.71 APEX1 (0.51) HTTKMT2AKDM4E
SCHEMBL10855407 0.71 AKR1B1 (0.56) EDNRBEDNRA
SCHEMBL27407085 0.70 EDNRB (0.51) EDNRBEDNRAEGFRKMT2ATOP1
SCHEMBL11104452 0.70 AR (0.43) HTTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008285-A Antiarthritic agent with low gastric irritability side effect HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-04-16 US disclosed
US-5008285-A Antiarthritic agent with low gastric irritability side effect HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-04-16 US disclosed
US-5008285-A Antiarthritic agent with low gastric irritability side effect HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-04-16 US disclosed
EP-0159684-B1 (6,11-DIHYDRO-11-OXODIBENZ(B,E)OXEPINYL)PENTANOIC ACIDS AND DERIVATIVES, A PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-27 EP disclosed
EP-0159684-A2 (6,11-Dihydro-11-oxodibenz(b,e)oxepinyl)pentanoic acids and derivatives, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-10-30 EP disclosed
EP-0159684-A2 (6,11-Dihydro-11-oxodibenz(b,e)oxepinyl)pentanoic acids and derivatives, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-10-30 EP disclosed
EP-0159684-A2 (6,11-Dihydro-11-oxodibenz(b,e)oxepinyl)pentanoic acids and derivatives, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-10-30 EP disclosed