SCHEMBL7754374

SCHEMBL7754374

CCCCOC=CCCO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
MGLL Q99685 1/20 0.34
CNR2 P34972 2/20 0.33
LMNA P02545 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.33
LPAR3 Q9UBY5 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7755108 0.94 MEN1 (0.42) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7756678 0.92 MEN1 (0.45) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7754325 0.89 TSHR (0.41) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7754403 0.86
SCHEMBL28146382 0.84 ADRB2 (0.36) TSHRALDH1A1ATMLPAR3HPGD
SCHEMBL27677868 0.84 LPAR3 (0.38) TSHRALDH1A1TRPV1LPAR3
SCHEMBL16863887 0.84 LPAR3 (0.38) TSHRALDH1A1TRPV1LPAR3
SCHEMBL7755350 0.83 SMN1; SMN2 (0.42) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1195860 0.83 TSHR (0.43) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL4632140 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed