SCHEMBL11032391

SCHEMBL11032391

CCC(C)(NC(=O)NC(C)(CC)c1ccccc1C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 2/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL10749410 0.81 CYP1A2 (0.49) CYP1A2CYP3A4RECQLKMT2AMAPK1
SCHEMBL10930293 0.73 RIPK1 (0.60) CYP3A4KMT2AMEN1MAPK1TSHR
SCHEMBL10932439 0.72 RIPK1 (0.59) KMT2AMEN1LMNAALDH1A1RIPK1
SCHEMBL24710855 0.72 CYP1A2 (0.44) CYP1A2CYP3A4RECQLKMT2AMAPK1
SCHEMBL7570207 0.71 GABRA1 (0.34) LMNATSHRPOLBMAPT
SCHEMBL10930164 0.70 GPR139 (0.39) CYP1A2CYP3A4RECQLKMT2AMEN1
SCHEMBL3275686 0.69 RIPK1 (0.38) KMT2ASMN1; SMN2MAPK1TSHRCYP2C19
SCHEMBL11047589 0.69 ADRB2 (0.39) CYP1A2CYP3A4RECQLKMT2AMEN1
SCHEMBL6435840 0.69 PDK1 (0.41) SMN1; SMN2HDAC1HDAC3HDAC4HDAC7
SCHEMBL24222570 0.68 HDAC1 (0.44) CYP1A2CYP3A4RECQLKMT2AMAPK1

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
JP-59039864-A None JP disclosed
JP-S5939864-A UREA DERIVATIVE AND SELECTIVE HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT JAPAN CARLIT CO LTD:THE 1984-03-05 JP disclosed