SCHEMBL28990849

SCHEMBL28990849

C/C=C/c1ccc(O)c(-c2ccc(OC)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.64
▸ LMNA P02545 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ TYR P14679 1/20 0.57
▸ NQO2 P16083 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ PELI1 Q96FA3 2/20 0.54
▸ NFE2L2 Q16236 1/20 0.54
▸ PTGES O14684 1/20 0.50
▸ ALOX5 P09917 3/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ MAPT P10636 1/20 0.46

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
SCHEMBL3921867 0.83 ALDH1A1 (0.56) LMNAKDM4EALDH1A1TYRNQO2
SCHEMBL31558747 0.80 CNR2 (0.54) CNR2LMNATP53TYRPELI1
SCHEMBL28689815 0.80 CNR2 (0.72) CNR2ALDH1A1TYRPELI1ALOX5
SCHEMBL29541984 0.79 KMT2A (0.61) LMNAKDM4EALDH1A1TP53TSHR
SCHEMBL21841320 0.79 CNR2 (1.00) CNR2LMNAKDM4EALDH1A1TP53
SCHEMBL8350728 0.77 KDM4E (0.87) LMNAKDM4EALDH1A1TP53CYP3A4
SCHEMBL10579363 0.77 ESR2 (0.60) KDM4ETP53TSHRRELAMAPT
SCHEMBL19176668 0.77 ALDH1A1 (0.51) LMNAKDM4EALDH1A1TP53CYP3A4
SCHEMBL11078733 0.76 ESR2 (0.61) LMNAKDM4EALDH1A1TP53CYP3A4
SCHEMBL13224764 0.76 KDM4E (0.69) LMNAKDM4EALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867139-A Arthropod control composition 弗门尼舍有限公司 2023-03-28 — — CN claimed
CN-115867139-A Arthropod control composition 弗门尼舍有限公司 2023-03-28 — — CN disclosed
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