SCHEMBL9532095

SCHEMBL9532095

CCC(CCOc1cccc(C(F)(F)F)c1)CCN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.58
HRH3 Q9Y5N1 2/20 0.57
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 5/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 1/20 0.45
BACE1 P56817 1/20 0.44
GALR3 O60755 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 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
Hydrochloric Acid SCHEMBL9533399 0.89 LTA4H (0.53) LTA4HHRH3ALDH1A1TSHRKDM4E
SCHEMBL11244902 0.83 LTA4H (0.81) LTA4HHRH3ALDH1A1KDM4EHTT
SCHEMBL14970473 0.83 LTA4H (0.81) LTA4HHRH3ALDH1A1KDM4EHTT
SCHEMBL9529686 0.82 LTA4H (0.58) LTA4HHRH3ALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL14969107 0.82 LTA4H (0.79) LTA4HHRH3ALDH1A1KDM4EHTT
SCHEMBL13150609 0.74 LTA4H (0.62) LTA4HHRH3ALDH1A1TSHRKDM4E
SCHEMBL13150800 0.73 LMNA (0.74) LTA4HHRH3ALDH1A1KDM4EHTT
SCHEMBL13761627 0.73 KDM4E (0.67) LTA4HHRH3ALDH1A1TSHRKDM4E
SCHEMBL7915852 0.73 LTA4H (0.67) LTA4HHRH3ALDH1A1KDM4EHTT
SCHEMBL23315180 0.72 HRH3 (0.68) LTA4HHRH3ALDH1A1KDM4EHTT

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
EP-0542844-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP claimed