SCHEMBL8373322

SCHEMBL8373322

C=CC(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.40
HPGDS O60760 2/20 0.40
CNR2 P34972 4/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CNR1 P21554 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
MAPT P10636 1/20 0.36
LAP3 P28838 3/20 0.36
POLB P06746 1/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35

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
SCHEMBL8373321 1.00 TSHR (0.50) TSHRALDH1A1HPGDSCNR2MEN1
SCHEMBL8219449 0.87 TSHR (0.52) TSHRALDH1A1MEN1LMNAKMT2A
SCHEMBL1711240 0.83 ALDH1A1 (0.60) TSHRALDH1A1MEN1LMNAKMT2A
SCHEMBL8188102 0.83 ALDH1A1 (0.60) TSHRALDH1A1MEN1LMNAKMT2A
SCHEMBL27828839 0.83 ALDH1A1 (0.60) TSHRALDH1A1MEN1LMNAKMT2A
Benzene SCHEMBL28285392 0.80 ALDH1A1 (0.56) TSHRALDH1A1MEN1LMNAKMT2A
SCHEMBL29820642 0.80 TAS1R3 (0.55) TSHRTAS1R3TAS1R1POLBNOS3
SCHEMBL21367972 0.80 TAS1R3 (0.55) TSHRTAS1R3TAS1R1POLBNOS3
SCHEMBL8376937 0.79 TSHR (0.45) TSHRALDH1A1CA12CA1CA9
SCHEMBL6919534 0.79 ALDH1A1 (0.44) ALDH1A1HPGDSCNR2MEN1LMNA

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-5883211-A Thermoreversible hydrogels comprising linear copolymers and their use in electrophoresis ACLARA BIOSCIENCES, INC. (US) 1999-03-16 US disclosed
WO-1997040078-A1 THERMOREVERSIBLE HYDROGELS COMPRISING NON-CROSSLINKED COPOLYMERS AND THEIR USE IN ELECTROPHORESIS SOANE BIOSCIENCES (US) 1997-10-30 WO disclosed