SCHEMBL28293786

SCHEMBL28293786

C#Cc1cccc(O)c1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ADAMTS4 O75173 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
FYN P06241 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MMP8 P22894 1/20 0.31
CA6 P23280 1/20 0.31
CDK2 P24941 1/20 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
SCHEMBL12290803 0.81 KDM4E (0.39) CHRNB2CHRNA4KDM4EHDAC4HDAC2
SCHEMBL16959151 0.81 CHRNB2 (0.36) CHRNB2CHRNA4KDM4EHDAC4HDAC2
SCHEMBL16954530 0.77
SCHEMBL16951923 0.77
SCHEMBL16953383 0.77 BRD4 (0.30)
SCHEMBL16236038 0.74 NPC1 (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL12290448 0.74 TSHR (0.48) CHRNB2CHRNA4KDM4EHDAC4HDAC2
SCHEMBL1808224 0.72 ALDH1A1 (0.55) KDM4EADAMTS4ALDH1A1EGFRCA1
SCHEMBL16955089 0.72
SCHEMBL28045418 0.71 MAOA (0.37) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109734686-B Catalytic synthesis method of 2-substituted benzofuran compound 浙江万里学院 2022-07-01 CN claimed
CN-109734686-B Catalytic synthesis method of 2-substituted benzofuran compound 浙江万里学院 2022-07-01 CN disclosed
CN-109734686-A A kind of 2- replaces the process for catalytic synthesis of benzofuran compounds 浙江万里学院 2019-05-10 CN disclosed