SCHEMBL28568009

SCHEMBL28568009

O=C(OC#Cc1ccccc1)c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.53
HSD17B10 Q99714 5/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HNF4A P41235 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HMGB1 P09429 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL38695 0.89 NPC1 (0.47) ALOX15TSHRLMNATDP1KDM4E
SCHEMBL2746516 0.84 ALDH1A1 (0.52) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL8940636 0.81 NPC1 (0.57) HPGDHSD17B10TSHRTDP1KDM4E
SCHEMBL1713040 0.77 LMNA (0.46) TSHRLMNATDP1KDM4EALDH1A1
SCHEMBL2256472 0.77 LMNA (0.52) HSD17B10TSHRLMNATDP1ALDH1A1
SCHEMBL28310474 0.76 LMNA (0.57) HPGDHSD17B10ALOX15TSHRLMNA
SCHEMBL22300267 0.74 ALDH1A1 (0.52) HPGDHSD17B10ALOX15TSHRLMNA
SCHEMBL29804118 0.74 ALDH1A1 (0.52) HPGDHSD17B10ALOX15TSHRLMNA
SCHEMBL23880583 0.73 APP (0.44) LMNAKDM4EALDH1A1HNF4ANPC1
SCHEMBL9364505 0.73 NPSR1 (0.46) TSHRLMNAKDM4EALDH1A1HNF4A

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-106456361-B Disposable bosom stove 大日本除虫菊株式会社 2021-06-04 CN disclosed