SCHEMBL9570843

SCHEMBL9570843

CCc1ccc(C(C=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
RAB9A P51151 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B2 P37059 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL9570671 0.86 THRB (0.38) L3MBTL1ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL9570836 0.79 ALDH1A1 (0.38) TSHRMAPK1ALDH1A1SMN1; SMN2HPGD
SCHEMBL9570796 0.79 TYR (0.48) MAPK1LMNAALDH1A1POLBCYP2C9
SCHEMBL9570654 0.79 CYP2A6 (0.38) ATMTDP1ALDH1A1HPGDMAPT
SCHEMBL9570747 0.77 NQO1 (0.47) TSHRTDP1LMNAALDH1A1CA2
SCHEMBL9570876 0.76 IDO1 (0.35) LMNAALDH1A1SMN1; SMN2ESR1ESR2
SCHEMBL9570684 0.76 TSHR (0.44) TSHRLMNAALDH1A1CYP1A2AKR1C3
SCHEMBL9570646 0.75 CA12 (0.41) L3MBTL1LMNAALDH1A1MAPTCA2
SCHEMBL9570745 0.75 CES2 (0.43) TSHRALDH1A1CYP1A2
SCHEMBL9570777 0.75 TSHR (0.40) TSHRMAPK1TDP1LMNAHPGD

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-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed