SCHEMBL10460430

SCHEMBL10460430

C=CCc1cc(C(C)(C)c2ccc(N3C(=O)CCC34CCC(=O)N4c3ccc(C(C)(C)c4ccc(O)c(CC=C)c4)cc3)cc2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLF10 Q13118 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ GABRA1 P14867 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GABRA2 P47869 1/20 0.32

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
SCHEMBL9379078 0.85 GABRA1 (0.45) GABRA1GABRB2POLBALDH1A1LMNA
SCHEMBL13609960 0.79 KLF10 (0.61) KLF10CACNA1BGABRA1GABRB2POLB
SCHEMBL30003149 0.79 KLF10 (0.61) KLF10CACNA1BGABRA1GABRB2POLB
SCHEMBL8722684 0.78 ESR1 (0.47) POLBALDH1A1LMNAHPGDKMT2A
SCHEMBL29364812 0.77 KLF10 (0.62) KLF10CACNA1BGABRA1GABRB2POLB
SCHEMBL29395400 0.77 KLF10 (0.62) KLF10CACNA1BGABRA1GABRB2POLB
SCHEMBL122346 0.77 KLF10 (0.62) KLF10CACNA1BGABRA1GABRB2POLB
SCHEMBL8674767 0.75 KLF10 (0.56) KLF10CACNA1BGABRA1GABRB2POLB
SCHEMBL17996060 0.75 ESR1 (0.56) KLF10CACNA1BGABRA1GABRB2POLB
SCHEMBL29370122 0.75 KLF10 (0.56) KLF10CACNA1BGABRA1GABRB2POLB

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
US-4968811-A Alkenylphenol derivatives SHELL OIL COMPANY (US) 1990-11-06 — — US disclosed
US-4886863-A Novel alkenylphenol derivatives SHELL OIL COMPANY (US) 1989-12-12 — — US disclosed
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