SCHEMBL11220189

SCHEMBL11220189

CCCCOC(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.47
NLRP3 Q96P20 1/20 0.46
ESR1 P03372 1/20 0.46
GAA P10253 1/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44
EPHX2 P34913 1/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TXNRD1 Q16881 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL11225216 0.89 TSHR (0.59) L3MBTL1TDP1ALDH1A1TSHRESR1
SCHEMBL14167399 0.84 TSHR (0.60) L3MBTL1TDP1ALDH1A1TSHRESR1
SCHEMBL11229135 0.84 NLRP3 (0.61) L3MBTL1TDP1ALDH1A1TSHRNLRP3
SCHEMBL18320536 0.83 TSHR (0.61) L3MBTL1TDP1ALDH1A1TSHRESR1
SCHEMBL4627248 0.81 TSHR (0.66) L3MBTL1TDP1ALDH1A1TSHRESR1
SCHEMBL11232066 0.80 L3MBTL1 (0.57) L3MBTL1TDP1ALDH1A1TSHRNLRP3
SCHEMBL28229224 0.78 TSHR (0.77) L3MBTL1TDP1ALDH1A1TSHRMEN1
SCHEMBL17502608 0.78 TSHR (0.50) L3MBTL1TDP1ALDH1A1TSHRESR1
SCHEMBL17070835 0.78 L3MBTL1 (0.55) L3MBTL1TDP1ALDH1A1TSHRNLRP3
1,2-Dichlorobenzene SCHEMBL27848782 0.78 L3MBTL1 (0.53) L3MBTL1TDP1ALDH1A1TSHRNLRP3

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-4309566-A RETARDATION OR STIMULATION OF GROWTH OF BROAD LEAF PLANTS FMC CORPORATION (US) 1982-01-05 US disclosed