SCHEMBL7993146

SCHEMBL7993146

CCCC(O)CSc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.51
PTGFR P43088 1/20 0.51
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
EPHX1 P07099 2/20 0.44
POLB P06746 1/20 0.42
PPARD Q03181 1/20 0.40
PNMT P11086 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 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
SCHEMBL12879674 0.77 GAA (0.52) GAAALDH1A1ATML3MBTL1KDM4E
SCHEMBL18680739 0.76 ALDH1A1 (0.54) GAAALDH1A1ATML3MBTL1KDM4E
SCHEMBL17074492 0.76 ATM (0.49) PTGER1PTGFRGAAALDH1A1ATM
SCHEMBL9325345 0.76 MAOA (0.59) GAAALDH1A1ATML3MBTL1KDM4E
SCHEMBL14402505 0.75 HTR2A (0.59) TAS1R3TAS1R1EPHX1LMNAMAPT
SCHEMBL13849955 0.75 HTR2A (0.59) TAS1R3TAS1R1EPHX1LMNAMAPT
SCHEMBL14402551 0.75 HTR2A (0.59) TAS1R3TAS1R1EPHX1LMNAMAPT
SCHEMBL13849915 0.75 HTR2A (0.59) TAS1R3TAS1R1EPHX1LMNAMAPT
SCHEMBL5950911 0.73 GAA (0.50) PTGER1PTGFRGAAALDH1A1ATM
SCHEMBL5950750 0.73 GAA (0.50) PTGER1PTGFRGAAALDH1A1ATM

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
WO-2000015606-A1 SUBSTITUTED N-ARYL-O-ALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-23 WO disclosed
WO-2000010971-A1 SUBSTITUTED N-ARYL-O-ALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed