SCHEMBL10950107

SCHEMBL10950107

CCCCCCC(C)(C)C(=O)OC1=C(c2ccc(C(F)(F)F)c(OC)c2)C(=O)CC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.38
▸ CNR1 P21554 7/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ACAT1 P24752 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ ELANE P08246 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 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
SCHEMBL10948993 0.81 CNR2 (0.34) CNR2CNR1MAPTELANENPSR1
SCHEMBL10948779 0.81 LMNA (0.37) TP53MAPTELANELMNAGAA
SCHEMBL10947987 0.73 HPGD (0.37) KDM4ELMNANPSR1
SCHEMBL10951657 0.72 TOP2A (0.41) ALOX15LMNAGAANPSR1
SCHEMBL10948656 0.72 HPGD (0.39) ALOX15TSHRLMNAGAANPSR1
SCHEMBL10946569 0.70 CNR2 (0.39) CNR2CNR1LMNANPSR1
SCHEMBL10945418 0.67 KMT2A (0.38) CNR2CNR1ALOX15NPSR1
SCHEMBL10946604 0.67 GAA (0.39) GAANPSR1
SCHEMBL10950579 0.66 HPGD (0.41) ALOX15NPSR1PGR
SCHEMBL10947368 0.66 MEN1 (0.35) TP53MAPTALOX15TSHRELANE

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
US-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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