SCHEMBL7969238

SCHEMBL7969238

COC=C(C(=O)OC)n1cccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 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
SCHEMBL7958548 1.00 TRIM24 (0.40) TRIM24TRIM33ALDH1A1GAASMN1; SMN2
SCHEMBL9329448 0.82 NPC1 (0.39) ALDH1A1GAASMN1; SMN2CYP1A2POLB
SCHEMBL9329459 0.82 NPC1 (0.39) ALDH1A1GAASMN1; SMN2CYP1A2POLB
SCHEMBL9329463 0.82 NPC1 (0.39) ALDH1A1GAASMN1; SMN2CYP1A2POLB
SCHEMBL8315409 0.77 TRIM24 (0.47) TRIM24TRIM33ALDH1A1GAASMN1; SMN2
SCHEMBL10575225 0.75 LMNA (0.30)
SCHEMBL7969171 0.74 KDM4E (0.35)
SCHEMBL9646097 0.74 ALDH1A1 (0.41) ALDH1A1CYP1A2
SCHEMBL10575228 0.74 PDGFRB (0.32) CA12CA1CA2CA9
SCHEMBL9729795 0.74 ALDH1A1 (0.41) ALDH1A1CYP1A2

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
WO-2001000574-A1 PYRROLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
US-4883807-A PLANT GROWTH REGULATORS, SUBSTITUTED PYRROLE ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-28 US disclosed