SCHEMBL6880214

SCHEMBL6880214

CC(C)c1cc([C]2CCc3ccccc32)c2ccccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
UGT2B7 P16662 1/20 0.33
CES1 P23141 1/20 0.33
HTR1A P08908 3/20 0.33
HTR7 P34969 3/20 0.33
AKR1B1 P15121 2/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
METAP2 P50579 1/20 0.31
SETD7 Q8WTS6 1/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL960302 0.76 CES1 (0.43) KDM4EMAPTALDH1A1SMN1; SMN2CES1
SCHEMBL22411241 0.69 UGT2B7 (0.34) ALDH1A1HPGDUGT2B7AKR1B1AKR1C3
SCHEMBL6366994 0.67 CYP1A2 (0.57) KDM4EALDH1A1HPGDUGT2B7AKR1B1
SCHEMBL9179432 0.67 UGT2B7 (0.44) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL2173494 0.67 UGT2B7 (0.44) ALDH1A1UGT2B7AKR1B1
SCHEMBL3177437 0.66 GSTP1 (0.46) KDM4ESMN1; SMN2CES1LMNA
SCHEMBL5951749 0.66 ACHE (0.41) HTR1AHTR7AKR1B1ACHE
SCHEMBL26415716 0.66 ALOX5 (0.49) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL26415734 0.66 PARP14 (0.45) MAPTAKR1C3AKR1C2HTT
SCHEMBL5600175 0.66 METAP2 (0.35) KDM4EMAPTMEN1ALDH1A1KMT2A

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-1428840-A1 PROCESS FOR PRODUCING POLYMER DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-06-16 EP disclosed