SCHEMBL9749391

SCHEMBL9749391

CC1(C)CC(=O)Oc2cc(O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
FTO Q9C0B1 3/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
SMAD3 P84022 1/20 0.43
PRMT1 Q99873 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 1/20 0.42
THRB P10828 2/20 0.40
USP2 O75604 1/20 0.40
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL9748001 0.87 MAPT (0.46) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL27030545 0.83 HPGD (0.45) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL8561411 0.81 KDM4E (0.53) ALDH1A1HPGDKDM4EHTTGLA
SCHEMBL8759599 0.80 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL27189627 0.80 FTO (0.43) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL4640526 0.78 CA12 (0.46) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL7026242 0.75 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL1404926 0.75 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL5664990 0.74 CA12 (0.46) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL2348300 0.72 CNR2 (0.53) ALDH1A1HPGDKDM4EMAPTMEN1

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-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed