SCHEMBL11547255

SCHEMBL11547255

CCOC(C)(C)CCCC(C)CCOc1cccc(CC)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GGPS1 O95749 2/20 0.39
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
SOD1 P00441 1/20 0.36

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
SCHEMBL11553217 0.85 LMNA (0.40) ALDH1A1SMN1; SMN2POLB
SCHEMBL11555226 0.84 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EGAACYP2D6
SCHEMBL11716444 0.84 L3MBTL1 (0.36) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL11551517 0.81 PPARG (0.37) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL11547888 0.81 POLB (0.41) MAPK1L3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL11551861 0.80 ESR1 (0.41) MAPK1L3MBTL1TSHRTDP1ALDH1A1
SCHEMBL11547707 0.79 ALOX5 (0.35) MAPK1L3MBTL1TSHRTDP1
SCHEMBL7536706 0.79 CHRNB2 (0.46) TSHRCYP2D6
SCHEMBL11553386 0.78 HRH3 (0.40) ALDH1A1KDM4ESMN1; SMN2POLBGAA
SCHEMBL11546595 0.78 TP53 (0.32) MAPK1TSHRTDP1ALDH1A1KDM4E

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-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed