SCHEMBL7763545

SCHEMBL7763545

CCC1(C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2CC[C@@H]4C)CCC1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.74
KDM4E B2RXH2 8/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
KCNH2 Q12809 6/20 0.49
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
ALB P02768 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
POLB P06746 3/20 0.47
AADAT Q8N5Z0 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47

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
SCHEMBL7224626 1.00 LMNA (0.74) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL7764919 0.91 LMNA (0.74) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL7227411 0.91 LMNA (0.74) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL7225205 0.91 LMNA (0.79) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL7227132 0.89 LMNA (0.68) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL7226968 0.89 LMNA (0.65) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL7226977 0.88 LMNA (0.72) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL7225681 0.87 LMNA (0.66) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL7234204 0.87 LMNA (0.70) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL7225726 0.87 LMNA (0.62) LMNAKDM4ESMN1; SMN2CYP1A2KCNH2

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-2001085728-A2 ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT WOCKHARDT LIMITED (IN) 2001-11-15 WO disclosed