SCHEMBL8979343

SCHEMBL8979343

C=CCC(O)(C(O)CO)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACSS2 Q9NR19 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL6671847 0.73 CYP2C19 (0.42) ALDH1A1KMT2AKDM4ECYP2C19CYP1A2
SCHEMBL8979350 0.72 ALDH1A1 (0.41) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL27483996 0.71
SCHEMBL2363953 0.71 MEN1 (0.41) KMT2AMEN1
SCHEMBL5505461 0.70 ALDH1A1 (0.36) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL27976224 0.69 ALDH1A1 (0.49) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL616174 0.69 ALDH1A1 (0.57) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL1985443 0.69 ALDH1A1 (0.57) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL27906586 0.69 CYP2C19 (0.46) ALDH1A1TSHRKMT2AKDM4ECYP2C19
SCHEMBL27498066 0.69 ALDH1A1 (0.57) ALDH1A1TSHRHTTMAPTKMT2A

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-0710225-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN Biotechnik GmbH (DE) 1996-05-08 EP disclosed
WO-1995032181-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN BIOTECHNIK GMBH (DE) 1995-11-30 WO disclosed