SCHEMBL9650735

SCHEMBL9650735

CC(=O)OC(C(=O)O)(C(=O)O)c1ccc(C(=O)c2ccccc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 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
SCHEMBL9650689 0.77 ALDH1A1 (0.45) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL24611536 0.73 ALDH1A1 (0.45) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL9652626 0.72 KMT2A (0.38) ELANEMEN1KMT2ACYP3A4CYP1A2
SCHEMBL14301059 0.68 ALDH1A1 (0.50) ELANEMEN1KMT2ACYP3A4CYP1A2
SCHEMBL10939224 0.67 TSHR (0.57) ELANEMEN1KMT2ACYP3A4CYP1A2
SCHEMBL10936301 0.67 ALDH1A1 (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL10939460 0.66 CA2 (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL9792276 0.64 ALDH1A1 (0.50) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL9792295 0.64 MEN1 (0.50) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL14275900 0.64 ALDH1A1 (0.45) ELANEMEN1KMT2ACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480465-A2 Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1,-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1992-04-15 — — EP disclosed
US-5082950-A Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (II) and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1992-01-21 — — US disclosed
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