SCHEMBL11050824

SCHEMBL11050824

COc1ccc(-c2ccc3c(=O)c(C(=O)O)cn4c3c2CCC4C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KCNH2 Q12809 2/20 0.39
CHRM1 P11229 2/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TOP2A P11388 3/20 0.37
TOP2B Q02880 3/20 0.37
GPR35 Q9HC97 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTGIR P43119 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
SCHEMBL10905798 0.88 KDM4E (0.52) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL10905854 0.88 KDM4E (0.49) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL10905473 0.88 KDM4E (0.49) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL10904846 0.88 KDM4E (0.49) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Water SCHEMBL10905268 0.85 LMNA (0.47) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL10907303 0.84 LMNA (0.46) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
Water SCHEMBL10903316 0.83 LMNA (0.46) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11744553 0.83 KDM4E (0.56) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Water SCHEMBL10905873 0.82 LMNA (0.45) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL15829347 0.81 TOP2A (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107201-A2 Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INCORPORATED (US) 1984-05-02 EP claimed
US-4443447-A Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INC. (US) 1984-04-17 US claimed