SCHEMBL11065393

SCHEMBL11065393

COC(=O)C(C(=O)OC)n1cccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
CA14 Q9ULX7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP26A1 O43174 2/20 0.31
FBP1 P09467 1/20 0.31

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
SCHEMBL6209667 0.81 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL8906464 0.77 PIN1 (0.39) ALDH1A1KMT2ARAB9ALMNAMEN1
SCHEMBL19483160 0.74 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL16576933 0.71 MAPT (0.50) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL14851767 0.71 MAPT (0.50) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL14851770 0.71 KMT2A (0.40) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL9384965 0.71 CA1 (0.39) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL16576941 0.71 MAPT (0.50) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL27455916 0.70 PIN1 (0.34) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL17233682 0.69 MAPT (0.41) ALDH1A1KMT2AMAPTRAB9ALMNA

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
US-4454326-A 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates SYNTEX (U.S.A.) INC. (US) 1984-06-12 US disclosed
US-4347187-A Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed