SCHEMBL11769880

SCHEMBL11769880

CC(Cl)c1cccc(C(=O)O)c1C(C)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MT-CO2 P00403 1/20 0.38
TTR P02766 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL27558949 0.88 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRHPGDKDM4E
SCHEMBL1567403 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRHPGDKDM4E
SCHEMBL11443844 0.77 GABRA1 (0.40) ALDH1A1TSHRHPGDCYP3A4LMNA
SCHEMBL16466774 0.77 LMNA (0.45) ALDH1A1ALOX15TSHRHPGDKDM4E
SCHEMBL9017947 0.76 ACE2 (0.38) ALDH1A1ALOX15TSHRKDM4EMAPT
SCHEMBL11140775 0.76 TSHR (0.37) ALDH1A1ALOX15TSHRHPGDKDM4E
SCHEMBL27900404 0.76 TSHR (0.49) ALDH1A1ALOX15TSHRHPGDMAPT
SCHEMBL3389839 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRHPGDKDM4E
SCHEMBL28119639 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRHPGDKDM4E
Hydrochloric Acid SCHEMBL9117656 0.76 LMNA (0.43) ALDH1A1ALOX15TSHRHPGDKDM4E

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-3959351-A INSECTICIDE, CHOLINESTERASE INHIBITOR RESEARCH CORPORATION (US) 1976-05-25 US disclosed