SCHEMBL9672986

SCHEMBL9672986

C=Cn1ccc(C(=O)O)c1CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.32
NSD2 O96028 1/20 0.32
POLB P06746 1/20 0.32
GRK2 P25098 1/20 0.32
CASP6 P55212 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
AKR1B1 P15121 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL3988622 0.73 NOTUM (0.38) NOTUMNSD2POLBGRK2CASP6
SCHEMBL16610760 0.66 KDM4E (0.42) POLBALDH1A1
2-Carboxybenzeneacetic Acid SCHEMBL2148321 0.61 BCAT2 (0.53) CTDSP1AKR1B1ALDH1A1ALOX15CYP1A2
SCHEMBL1664457 0.61 POLB (0.42) POLBALDH1A1ALOX15
Phthalic Acid SCHEMBL23929048 0.59 ALDH1A1 (0.64) POLBALDH1A1ALOX15
Phthalic Acid SCHEMBL21332399 0.59 ALDH1A1 (0.64) POLBALDH1A1ALOX15
SCHEMBL598224 0.58 CA2 (0.56) NSD2POLBGRK2CASP6CTDSP1
Hydrochloric Acid SCHEMBL3625706 0.57 CA2 (0.54) NSD2POLBGRK2CASP6CTDSP1
Phthalic Acid SCHEMBL35170 0.57 ALDH1A1 (0.58) POLBALDH1A1ALOX15CYP1A2
SCHEMBL5060389 0.57 AKR1B1 (0.56) POLBCASP6CTDSP1AKR1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275092-B1 PROCESS FOR PREPARING (+)-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1,7-DICARBOXYLATES SYNTEX (U.S.A.) INC. (US) 1992-06-03 EP disclosed
US-4937368-A Process for preparing (+)-2,3-dihydro-1H-pyrrolo[1,2-A]pyrrole-1,7-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1990-06-26 US disclosed
US-4835288-A Process for preparing (+)-2,3-dihydro-1H-pyrrolo[1,2-a]pyrrole-1,7-dicarboxylates SYNTEX INC. (US) 1989-05-30 US disclosed
EP-0275092-A1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1,7-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1988-07-20 EP disclosed