SCHEMBL28517850

SCHEMBL28517850

C=CCOc1ccc(C=C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA9 Q16790 5/20 0.43
MAOA P21397 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
FGFR1 P11362 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL4501693 0.86 ALDH1A1 (0.54) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL27762926 0.83 ALDH1A1 (0.53) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL4778778 0.80 ALDH1A1 (0.50) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL8387242 0.79 PPARG (0.47) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL8387240 0.79 PPARG (0.47) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL12005938 0.79 ALDH1A1 (0.49) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL10650052 0.79 MCL1 (0.54) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL2198665 0.79 ALDH1A1 (0.49) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL4861376 0.79 ALDH1A1 (0.49) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL21625024 0.78 THRA (0.45) MAPTCYP2D6TP53

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-111763376-A Thermoplastic vulcanized elastomer for automobile sealing strip and preparation method thereof 安徽中鼎橡塑制品有限公司 2020-10-13 CN disclosed