SCHEMBL8767182

SCHEMBL8767182

CCC(I)c1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
LTA4H P09960 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.46
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8768529 0.81 KCNA3 (0.50) KCNA3LTA4HKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL11737462 0.76 KCNA3 (0.52) KCNA3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11293403 0.73 LTA4H (0.54) LTA4HKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL28368864 0.73 KDM4E (0.50) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL367062 0.73 LMNA (0.52) LMNAKMT2A
SCHEMBL11605478 0.73 CYSLTR2 (0.58) LTA4HALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL17905720 0.72 KDM4E (0.65) LTA4HKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL15016887 0.72 ALOX5 (0.56) ALDH1A1LMNASMN1; SMN2TSHRCYSLTR2
SCHEMBL14119424 0.71 TSHR (0.51) LTA4HKDM4ETSHRCYSLTR2CYSLTR1
SCHEMBL20225797 0.71 TSHR (0.63) KDM4EALDH1A1LMNASMN1; SMN2TSHR

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-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 EP disclosed