SCHEMBL8026229

SCHEMBL8026229

CCC(C)([O])C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
EPHX1 P07099 1/20 0.35
SHBG P04278 1/20 0.32
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
SSTR4 P31391 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL8024146 0.97 EPHX1 (0.32) CYP1A2EPHX1SMN1; SMN2
SCHEMBL8024143 0.92
SCHEMBL3418617 0.87
SCHEMBL8498087 0.74 CYP1A2 (0.44) CYP1A2SHBGMEN1ALDH1A1LMNA
SCHEMBL3000305 0.74 CYP1A2 (0.39) CYP1A2SHBGMEN1ALDH1A1LMNA
SCHEMBL1396813 0.74 ALDH1A1 (0.39) CYP1A2SHBGMEN1ALDH1A1LMNA
SCHEMBL15824316 0.73 CCR2 (0.34)
SCHEMBL3141136 0.73 EPHX1 (0.35) CYP1A2EPHX1SSTR4
SCHEMBL6318304 0.70 CYP1A2 (0.40) CYP1A2SHBGADH1CADH1A
SCHEMBL10779865 0.70 CYP1A2 (0.40) CYP1A2SHBGADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed