SCHEMBL28897145

SCHEMBL28897145

CC1(C(=O)OCc2ccc(CO)cc2)COOOC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CYP3A4 P08684 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL28179082 0.87 ALDH1A1 (0.49) ALDH1A1HCAR2DDB1CRBNMEN1
SCHEMBL847109 0.84 POLB (0.35) POLBHPGDSMN1; SMN2ALDH1A1CYP17A1
SCHEMBL20848347 0.77 CYP3A4 (0.39) POLBALDH1A1CYP17A1CYP19A1CYP3A4
SCHEMBL1256462 0.74 ALDH1A1 (0.51) ALDH1A1DDB1CRBNMEN1KMT2A
SCHEMBL21011264 0.73 MEN1 (0.42) POLBALDH1A1CYP17A1CYP19A1CYP3A4
SCHEMBL6709368 0.73 ALDH1A1 (0.54) ALDH1A1DDB1CRBNMEN1KMT2A
SCHEMBL18256732 0.72 NAAA (0.41) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15198823 0.72 NAAA (0.41) POLBALDH1A1CYP17A1CYP19A1CYP3A4
SCHEMBL28179054 0.72 ATM (0.41) POLBSMN1; SMN2ALDH1A1HCAR2MEN1
SCHEMBL12938576 0.71 POLB (0.38) POLBHPGDSMN1; SMN2CYP17A1CYP19A1

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-107257813-B Block copolymers having surface active anchoring groups, compositions and methods thereof AZ电子材料卢森堡有限公司 2020-08-21 CN disclosed