SCHEMBL8979346

SCHEMBL8979346

C=CCc1cccc(C(c2ccccc2)(c2ccccc2)C(O)C(O)CO)c1CC=C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALDH1A1 P00352 2/20 0.31
ADRB2 P07550 3/20 0.30
ADRB1 P08588 3/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
HTR1A P08908 1/20 0.30
ADRB3 P13945 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
BDKRB2 P30411 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 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
SCHEMBL8979347 0.90 GABRA1 (0.34) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL28827007 0.76 GABRA1 (0.41) GABRA1GABRB2ALDH1A1TSHRLMNA
SCHEMBL28233471 0.75 GABRA1 (0.40) GABRA1GABRB2ALDH1A1TSHR
SCHEMBL465453 0.72 CYP2C19 (0.39) ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4170464 0.72 ALDH1A1 (0.38) GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9453918 0.68 AGTR1 (0.39) ALDH1A1TSHRLMNACYP1A2
SCHEMBL11054212 0.67 GABRA1 (0.43) GABRA1GABRB2ALDH1A1
SCHEMBL170076 0.67 ALDH1A1 (0.37) GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8979339 0.66 ALDH1A1 (0.39) ALDH1A1ADRB2ADRB1TSHRLMNA
SCHEMBL18136 0.65 GABRA1 (0.56) GABRA1GABRB2ALDH1A1LMNAADRA2C

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