SCHEMBL31016196

SCHEMBL31016196

O=C(O)C1(c2ccccc2)CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.83
KMT2A Q03164 4/20 0.58
TET3 O43151 1/20 0.58
FBXL19 Q6PCT2 1/20 0.58
CXXC5 Q7LFL8 1/20 0.58
TET1 Q8NFU7 1/20 0.58
KDM2B Q8NHM5 1/20 0.58
CXXC4 Q9H2H0 1/20 0.58
KDM2A Q9Y2K7 1/20 0.58
HSD11B1 P28845 2/20 0.57
HDAC4 P56524 3/20 0.53
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL6391 1.00 AKR1C1 (0.83) AKR1C1KMT2ATET3FBXL19CXXC5
Hydrochloric Acid SCHEMBL3866423 0.98 AKR1C1 (0.79) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL11665752 0.93 AKR1C1 (0.88) AKR1C1KMT2ATET3FBXL19CXXC5
Phenol SCHEMBL28560131 0.91 AKR1C1 (0.70) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL65167 0.91 AKR1C1 (1.00) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL1667343 0.91 AKR1C1 (0.91) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL3025596 0.89 AKR1C1 (0.68) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL8110538 0.89 AKR1C1 (0.68) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL1041902 0.89 AKR1C1 (0.96) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL66387 0.89 AKR1C1 (0.96) AKR1C1KMT2ATET3FBXL19CXXC5

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-114829451-B Process for preparing polyester carbonates 科思创德国股份有限公司 2024-08-16 CN disclosed