SCHEMBL9307153

SCHEMBL9307153

C[C@@H]1CCC2=C(C1)C(=O)OC2=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.34
CNR2 P34972 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP2A13 Q16696 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PDK1 Q15118 1/20 0.31
TLR4 O00206 1/20 0.31
MT-CO2 P00403 1/20 0.30
ALOX5 P09917 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
SCHEMBL346371 1.00 CRBN (0.34) CRBNCNR2CYP2A6CYP2A13ALDH1A1
SCHEMBL7112796 0.84 CRBN (0.42) CRBNALDH1A1TSHRSMN1; SMN2
SCHEMBL7283621 0.74 SMN1; SMN2 (0.38) CRBNTSHRSMN1; SMN2
SCHEMBL8619667 0.70 CA1 (0.37) CA1CA9
SCHEMBL2646074 0.70 CYP1A2 (0.36) CRBNALDH1A1SMN1; SMN2PDK1TLR4
SCHEMBL10400696 0.70 CRBN (0.44) CRBNALDH1A1PDK1TLR4
SCHEMBL11700035 0.69 TSHR (0.41) ALDH1A1TSHR
SCHEMBL55174 0.69
SCHEMBL2474875 0.68 TSHR (0.46) CRBNCNR2CYP2A6CYP2A13ALDH1A1
SCHEMBL11704728 0.68 KDM4E (0.34) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296452-A Herbicidal 3-(3,4,5,6-tetrahydrophthalimido)-cinnamic esters BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed