SCHEMBL28274170

SCHEMBL28274170

C=CCc1ccc(C)c(C)c1CC=C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 3/20 0.32
GLA P06280 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL4629842 0.86 PON1 (0.35) GAAKDM4EGLA
Ammonia Solution, Strong SCHEMBL3883290 0.85 PON1 (0.37)
SCHEMBL3047788 0.85 ALDH1A1 (0.34) GAAKDM4EGLAALDH1A1ALOX15
SCHEMBL11759870 0.83 GABRA1 (0.36) GABRA1GABRB2GAAALDH1A1ALOX15
SCHEMBL17378142 0.80 GABRA1 (0.32) GABRA1GABRB2MEN1KMT2A
SCHEMBL5849196 0.80 GABRA1 (0.44) GABRA1GABRB2GAAKDM4EGLA
SCHEMBL7898033 0.80 IMPDH2 (0.39) GABRA1GABRB2CYP3A4TSHRMAPT
SCHEMBL1918099 0.79 GABRA1 (0.43) GABRA1GABRB2GAAKDM4EALDH1A1
SCHEMBL7154219 0.79 ALDH1A1 (0.31) KDM4EALDH1A1ALOX15TP53CYP3A4
SCHEMBL6591933 0.78 SRD5A1 (0.47) GABRA1GABRB2GAAKDM4EGLA

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-105199682-B A kind of drilling fluid strong adsorbent solid lubricant and its synthetic method 西安长庆化工集团有限公司 2019-02-22 CN claimed