SCHEMBL28418683

SCHEMBL28418683

CCCCCCCCOC(=O)C(C)Oc1cccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MMP2 P08253 1/20 0.40

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
SCHEMBL28530264 0.81 ALDH1A1 (0.50) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL28865971 0.81 SMN1; SMN2 (0.57) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL28422361 0.81 TSHR (0.47) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL21381321 0.81 SMN1; SMN2 (0.57) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL11832150 0.80 PPOX (0.45) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL28822687 0.77 F9 (0.47) ALDH1A1MEN1MAPTKMT2A
SCHEMBL22714256 0.77 TSHR (0.59) TSHRALDH1A1LMNATP53MEN1
SCHEMBL28486513 0.77 TSHR (0.59) TSHRALDH1A1LMNATP53MEN1
SCHEMBL28440170 0.77 TSHR (0.59) TSHRALDH1A1LMNATP53MEN1
SCHEMBL29939975 0.77 TSHR (0.59) TSHRALDH1A1LMNATP53MEN1

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
CN-108948819-B Low-temperature construction asphalt planting roof root-resisting material and preparation and construction method thereof 湖北工业大学 2020-06-02 CN claimed
CN-108948819-B Low-temperature construction asphalt planting roof root-resisting material and preparation and construction method thereof 湖北工业大学 2020-06-02 CN disclosed