SCHEMBL9803445

SCHEMBL9803445

C=CCC12C=CC(CC1C(=O)NCc1ccco1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
POLB P06746 4/20 0.47
ALDH1A1 P00352 4/20 0.46
EPHX2 P34913 4/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL10358817 0.82 TSHR (0.46) KMT2APOLBALDH1A1EPHX2TSHR
SCHEMBL9803398 0.79 LMNA (0.45) KMT2AALDH1A1MEN1NPSR1KDM4E
SCHEMBL10577886 0.75
SCHEMBL9802748 0.72
SCHEMBL9802840 0.72
SCHEMBL5123195 0.67 TDP1 (0.69) KMT2APOLBALDH1A1HPGDMEN1
SCHEMBL13444999 0.66 HPGD (0.65) KMT2APOLBALDH1A1EPHX2TSHR
SCHEMBL10359776 0.66 BCHE (0.42) KMT2AEPHX2HPGDMEN1MAPK1
SCHEMBL24575916 0.66 EPHX2 (0.83) KMT2APOLBALDH1A1EPHX2TSHR
SCHEMBL10409570 0.65 ALDH1A1 (0.32) ALDH1A1TSHR

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-4992518-A Heat-resistant adhesives; matrix resins; dielectrics; composites; lamination CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4861885-A Allylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid amides CIBA-GEIGY CORPORATION (US) 1989-08-29 US disclosed