SCHEMBL28530264

SCHEMBL28530264

CCCCCCCCOC(=O)C(C)Oc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL28257872 0.94 ALDH1A1 (0.50) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL11800491 0.88 TDP1 (0.46) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL31255658 0.88 TDP1 (0.46) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL5124456 0.84 TDP1 (0.55) ALDH1A1TSHRLMNATDP1KMT2A
SCHEMBL28422361 0.83 TSHR (0.47) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL28486513 0.82 TSHR (0.59) ALDH1A1TSHRLMNATP53TDP1
SCHEMBL28440170 0.82 TSHR (0.59) ALDH1A1TSHRLMNATP53TDP1
SCHEMBL29939975 0.82 TSHR (0.59) ALDH1A1TSHRLMNATP53TDP1
SCHEMBL22714256 0.82 TSHR (0.59) ALDH1A1TSHRLMNATP53TDP1
SCHEMBL21384547 0.81 ALDH1A1 (0.54) ALDH1A1TSHRLMNACYP3A4TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096630-B Preparation method of composite fixable root-resisting agent for planting roof 湖北工业大学 2020-11-10 CN claimed
CN-109096630-B Preparation method of composite fixable root-resisting agent for planting roof 湖北工业大学 2020-11-10 CN disclosed
CN-109096630-B Preparation method of composite fixable root-resisting agent for planting roof 湖北工业大学 2020-11-10 CN disclosed