SCHEMBL29205205

SCHEMBL29205205

CCCCc1c(O)ccc(C(=O)c2ccccc2C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.38
MAPK13 O15264 3/20 0.37

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
SCHEMBL29205225 0.94 TYR (0.42) KMT2ACYP3A4CYP2C9CCNB2CCNE2
SCHEMBL29205197 0.93 KMT2A (0.45) KMT2ACYP3A4CYP2C9ALDH1A1MEN1
SCHEMBL2855390 0.87 TYR (0.40) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL28754858 0.84 MAPT (0.47) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL8968774 0.83 TYR (0.50)
SCHEMBL29205220 0.82 LMNA (0.37) KMT2ACYP3A4ALDH1A1KDM4EMEN1
SCHEMBL29205193 0.81 SLC37A4 (0.36) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL10560574 0.81 LMNA (0.45) KMT2ACYP3A4ALDH1A1KDM4EMEN1
SCHEMBL10727033 0.79 KAT8 (0.50) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL10975179 0.79 CYP1A2 (0.48) CYP2C9ALDH1A1MAPTHPGDNPC1

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
CN-117999058-A Solid cleaning composition and method therefor 高露洁-棕榄公司 2024-05-07 CN disclosed