SCHEMBL11248901

SCHEMBL11248901

CCC1(CC)COC(c2cccc(N)c2)OC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SOAT1 P35610 1/20 0.39
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KDM1A O60341 8/20 0.33
▸ RCOR1 Q9UKL0 4/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAOA P21397 4/20 0.33
▸ MAOB P27338 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ KCNA4 P22459 1/20 0.32
▸ KCNA1 Q09470 1/20 0.32
▸ KCNAB1 Q14722 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
SCHEMBL233910 0.76 CYP3A4 (0.44) MEN1CYP2C19KMT2ADDB1CRBN
SCHEMBL30439399 0.76 CYP3A4 (0.44) MEN1CYP2C19KMT2ADDB1CRBN
SCHEMBL11245138 0.74 KDM1A (0.34) MEN1CYP2C19KMT2ASOAT1ALDH1A1
SCHEMBL16710757 0.74 SOAT1 (0.38) MEN1CYP2C19KMT2ASOAT1KCNA4
SCHEMBL1936929 0.73 ALDH1A1 (0.41) MEN1CYP2C19KMT2ADDB1CRBN
SCHEMBL11245169 0.72 TSHR (0.43) MEN1KMT2AALDH1A1KDM1ARECQL
SCHEMBL4812907 0.71 MEN1 (0.55) MEN1CYP2C19KMT2ASOAT1ALDH1A1
SCHEMBL13352408 0.68 MEN1 (0.60) MEN1CYP2C19KMT2ASOAT1ALDH1A1
SCHEMBL15780141 0.68 KDM1A (0.68) KDM1ARCOR1MAOAMAOB
SCHEMBL10258351 0.67 CYP3A4 (0.42) MEN1KMT2ADDB1CRBNALDH1A1

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-4331466-A POST EMERGENCE POST FLOOD WEED CONTROL STAUFFER CHEMICAL COMPANY (US) 1982-05-25 — — US disclosed
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