SCHEMBL11858013

SCHEMBL11858013

CC1(C)Oc2ccc(Cl)cc2O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
AHR P35869 3/20 0.50
ALPG P10696 2/20 0.41
ALOX12 P18054 3/20 0.40
ALOX15 P16050 3/20 0.40
KIF11 P52732 1/20 0.40
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL29561949 1.00 TSHR (0.56) TSHRAHRALPGALOX12ALOX15
SCHEMBL10922209 0.79 AHR (0.52) AHRALPGALOX12ALOX15KCNE1
SCHEMBL3861110 0.77 AHR (0.50) AHRALPGALOX12ALOX15KIF11
SCHEMBL6442096 0.77 AHR (0.50) TSHRAHRALPGALOX12ALOX15
SCHEMBL2762063 0.77 ALDH1A1 (0.44) TSHRAHRALDH1A1KDM4EHSD17B10
SCHEMBL16797674 0.75 KCNE1 (0.42) TSHRAHRKCNE1KCNQ1ALDH1A1
SCHEMBL8167005 0.74 TSHR (0.59) TSHRALOX12ALOX15KIF11ALDH1A1
SCHEMBL7519328 0.74 TSHR (1.00) TSHRALOX12ALOX15KIF11SMN1; SMN2
SCHEMBL16797671 0.74 KCNE1 (0.44) TSHRAHRKCNE1KCNQ1ALDH1A1
SCHEMBL25192586 0.73 TSHR (0.56) TSHRALOX12ALOX15KIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999263-B Synthesis method of tri-substituted phosphine oxide compound 苏州欣诺科生物科技有限公司 2022-04-01 CN claimed
CN-113999263-A Synthesis method of tri-substituted phosphine oxide compound 苏州欣诺科生物科技有限公司 2022-02-01 CN claimed
CN-113999263-B Synthesis method of tri-substituted phosphine oxide compound 苏州欣诺科生物科技有限公司 2022-04-01 CN disclosed
CN-113999263-A Synthesis method of tri-substituted phosphine oxide compound 苏州欣诺科生物科技有限公司 2022-02-01 CN disclosed
US-3962281-A METHOD OF PREPARING ALDEHYDES SAGAMI CHEMICAL RESEARCH CENTER (JA) 1976-06-08 US disclosed