SCHEMBL9570620

SCHEMBL9570620

CCOc1ccc(C(C=O)C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
RORC P51449 1/20 0.42
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TACR2 P21452 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 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
SCHEMBL9570833 0.84 KDM1A (0.40) L3MBTL1KMT2ALMNAALDH1A1NPSR1
SCHEMBL9570662 0.78 ALDH1A1 (0.41) LMNAALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL9570747 0.76 NQO1 (0.47) LMNAALDH1A1POLBTDP1RELA
SCHEMBL9570577 0.76 RORC (0.43) ERN1RORCMAPTRAB9AATM
SCHEMBL16957715 0.76 MAPT (0.46) ERN1RORCMAPTRAB9AATM
SCHEMBL11951613 0.74 ALDH1A1 (0.48) ERN1RORCMAPTRAB9AATM
SCHEMBL9570759 0.73 PDE2A (0.37) FAAH
SCHEMBL9570854 0.73 TSHR (0.44) L3MBTL1KMT2AALDH1A1NPSR1POLB
SCHEMBL20032378 0.72 MAPT (0.46) ERN1RORCMAPTRAB9AATM
SCHEMBL16961145 0.72 MAPT (0.43) ERN1RORCMAPTRAB9AATM

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
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
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