SCHEMBL9788336

SCHEMBL9788336

CC1C(=O)C(=O)C(C(=O)O)=NN1c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PDE5A O76074 4/20 0.41
▸ PTGS2 P35354 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ SMO Q99835 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RPA1 P27694 1/20 0.34
▸ ALOX15 P16050 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
SCHEMBL6732362 0.71 MEN1 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5360577 0.63 PDE5A (0.38) ALDH1A1LMNAPDE5APTGS2CYP2C19
SCHEMBL28408483 0.62 PDE5A (0.40) ALDH1A1LMNAPDE5APTGS2MAPT
SCHEMBL10594147 0.61 MEN1 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1023193 0.60 CNR1 (0.58) ALDH1A1LMNAPDE5AMEN1KMT2A
SCHEMBL6734973 0.60 KAT8 (0.43) ALDH1A1MAPTMEN1KMT2ANOTUM
SCHEMBL11061067 0.59 ABL1 (0.74) ALDH1A1LMNAPDE5AMAPTMEN1
Hydrochloric Acid SCHEMBL1039418 0.59 CNR1 (0.57) ALDH1A1LMNAPDE5AMEN1KMT2A
SCHEMBL14877428 0.59 TP53 (0.44) ALDH1A1LMNAPTGS2MAPTMEN1
SCHEMBL6314841 0.59 PKM (0.72) ALDH1A1LMNAPTGS2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171310-B1 PROCESS FOR PREPARING DOUBLED HAPLOIDS OF CEREALS Etablissement Public dit: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1990-04-04 — — EP claimed
US-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 — — US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 — — US disclosed
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