SCHEMBL11711995

SCHEMBL11711995

CCn1cc(C(=O)O)c(=O)c2ccc(N3CCNCC3)cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.67
ALDH1A1 P00352 9/20 0.67
HPGD P15428 9/20 0.67
HSD17B10 Q99714 8/20 0.67
LMNA P02545 6/20 0.67
HTT P42858 4/20 0.67
TSHR P16473 3/20 0.67
BRD4 O60885 1/20 0.67
CYP2J2 P51589 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
CYP2C9 P11712 1/20 0.56
ATP6V1B2 P21281 1/20 0.56
TBXA2R P21731 1/20 0.56
EDNRA P25101 1/20 0.56
TARBP2 Q15633 1/20 0.56
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
APEX1 P27695 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DRD3 P35462 1/20 0.51

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
SCHEMBL3973297 0.91 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11400835 0.87 DRD3 (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11713505 0.87 LMNA (0.54) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11711048 0.86 DRD3 (0.65) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7404567 0.84 DRD3 (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7017162 0.83 CHRM1 (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27670321 0.82 LMNA (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11713020 0.81 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL26017160 0.81 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL28004663 0.81 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA

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-4017622-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1977-04-12 US disclosed