SCHEMBL29286334

SCHEMBL29286334

C=CC=Cc1ccccc1.C=COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
LMNA P02545 2/20 0.42
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CDK4 P11802 2/20 0.41
CCNB1 P14635 2/20 0.41
CCND1 P24385 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LCK P06239 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP19A1 P11511 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL11234472 0.86 TSHR (0.56) MAOBLMNACCNB2CDK1CDK4
SCHEMBL145091 0.83 TSHR (0.52) MAOBLMNACYP1A2ALDH1A1MAPK1
Styrene SCHEMBL11234469 0.82 ALDH1A1 (0.56) MAOBLMNACCNB2CDK1CDK4
Phosphine SCHEMBL28323888 0.81 TSHR (0.50) MAOBLMNACYP1A2ALDH1A1MAPK1
Water SCHEMBL28226317 0.81 TSHR (0.50) MAOBLMNACYP1A2ALDH1A1MAPK1
Ethylene SCHEMBL28940632 0.81 TSHR (0.50) MAOBLMNACYP1A2ALDH1A1MAPK1
Ethane SCHEMBL28154494 0.79 TSHR (0.48) MAOBLMNACYP1A2ALDH1A1MAPK1
SCHEMBL4936136 0.79 MAOB (0.68) MAOBLMNACYP1A2CYP19A1TRPA1
SCHEMBL33879 0.79 MAOB (0.68) MAOBLMNACYP1A2CYP19A1TRPA1
SCHEMBL93419 0.79 MAOB (0.68) MAOBLMNACYP1A2CYP19A1TRPA1

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-109053944-A A kind of fluoropolymer resin and its application in high-frequency circuit board 广东生益科技股份有限公司 2018-12-21 CN disclosed