SCHEMBL9252992

SCHEMBL9252992

C=CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(F)c(Cl)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.40
▸ KMT2A Q03164 4/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL9252996 1.00 HPGD (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9252988 1.00 HPGD (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9249429 0.94 HPGD (0.39) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9249418 0.94 HPGD (0.39) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9249423 0.94 HPGD (0.39) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9254398 0.92 CHRNA3 (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9254403 0.92 CHRNA3 (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9254407 0.92 CHRNA3 (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9876157 0.90 KMT2A (0.38) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9876154 0.90 KMT2A (0.38) HPGDKMT2AHTTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 — — US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 — — US disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 — — US disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 — — US disclosed
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