SCHEMBL11000397

SCHEMBL11000397

CC1CCc2c(N3CCCCC3)c(Cl)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
KDM4E B2RXH2 10/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 4/20 0.45
ALB P02768 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
POLB P06746 3/20 0.44
AADAT Q8N5Z0 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44

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
SCHEMBL11162090 0.91 LMNA (0.64) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11165938 0.90 LMNA (0.63) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11166230 0.88 LMNA (0.61) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11164356 0.88 LMNA (0.61) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL11162608 0.88 LMNA (0.61) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11000799 0.88 LMNA (0.83) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11167050 0.88 LMNA (0.60) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11168126 0.88 LMNA (0.62) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11158344 0.88 LMNA (0.60) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL11165180 0.87 LMNA (0.59) LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1

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
US-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 US disclosed