SCHEMBL11046488

SCHEMBL11046488

COc1ccc(C2(C(=O)O)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
KMT2A Q03164 5/20 0.53
TET3 O43151 1/20 0.53
FBXL19 Q6PCT2 1/20 0.53
CXXC5 Q7LFL8 1/20 0.53
TET1 Q8NFU7 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
CXXC4 Q9H2H0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL301027 0.87 KMT2A (0.64) POLBKMT2ATET3FBXL19CXXC5
SCHEMBL11046813 0.87 POLB (0.56) POLBKMT2ATET3FBXL19CXXC5
SCHEMBL11044409 0.85 POLB (0.50) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL1466916 0.83 POLB (0.62) POLBKMT2ATET3FBXL19CXXC5
SCHEMBL3443266 0.81 KMT2A (0.61) POLBKMT2ATET3FBXL19CXXC5
SCHEMBL503291 0.81 KMT2A (0.65) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL735386 0.81 AKR1C1 (0.61) POLBKMT2ATET3FBXL19CXXC5
SCHEMBL3219496 0.80 APP (0.50) KMT2ACYP3A4CYP2C19
SCHEMBL21874196 0.80 KMT2A (0.57) POLBKMT2ATET3FBXL19CXXC5
SCHEMBL21874269 0.80 KMT2A (0.63) KMT2ATET3FBXL19CXXC5TET1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035902-B1 1-(4-ARYL-CYCLOHEXYL)PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-31 EP disclosed
US-4329353-A ANTIEMETIC AND NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-05-11 US disclosed
EP-0035902-A1 1-(4-Aryl-cyclohexyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-09-16 EP disclosed