SCHEMBL23934503

SCHEMBL23934503

COC(=O)C(COO)C1CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDPK1 O15530 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PIN1 Q13526 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39

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
SCHEMBL23934534 0.86 DRD2 (0.38) USP2TSHRPDPK1ALDH1A1PIN1
SCHEMBL23699443 0.85 USP2 (0.43) USP2TSHRPDE4APDE4BPDE4C
SCHEMBL23699401 0.77 DRD2 (0.44) USP2TSHRMTNR1AMTNR1B
SCHEMBL12924867 0.77 SLC6A3 (0.51) TSHRALDH1A1KMT2A
SCHEMBL5726924 0.76 PIN1 (0.43) USP2PIN1
SCHEMBL8301035 0.76 PPARG (0.43) PIN1
SCHEMBL23699381 0.76 TSHR (0.44) USP2TSHRPDE4APDE4BPDE4C
SCHEMBL8298173 0.73 PPARA (0.53)
SCHEMBL7961253 0.73 FFAR1 (0.49) TSHRMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7961254 0.73 FFAR1 (0.49) TSHRMEN1KMT2AMTNR1AMTNR1B

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
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed