SCHEMBL10947975

SCHEMBL10947975

O=C1CCC(OC(=O)c2ccc3ccccc3c2)=C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ SRD5A1 P18405 2/20 0.40
▸ SRD5A2 P31213 2/20 0.40
▸ DRD4 P21917 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ KIF11 P52732 1/20 0.36

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
SCHEMBL10947978 0.80 KMT2A (0.41) DRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL10902046 0.73 NPC1 (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL10943274 0.69 FAAH (0.43) MAPTCES1
SCHEMBL18644439 0.67 CES2 (0.50) ENPP3ENPP1DRD4MEN1KMT2A
SCHEMBL25919792 0.65 PRSS1 (0.61) SRD5A2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL418527 0.64 MAPT (0.68) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL26820145 0.64 KIF11 (0.61) ALDH1A1BACE1KIF11
SCHEMBL22389484 0.64 KIF11 (0.61) ALDH1A1BACE1KIF11
SCHEMBL26820138 0.64 KIF11 (0.61) ALDH1A1BACE1KIF11
SCHEMBL26547922 0.64 KIF11 (0.61) ALDH1A1BACE1KIF11

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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