SCHEMBL11635945

SCHEMBL11635945

Cc1cc(Cl)ccc1OC(CO)C(=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
TRPM4 Q8TD43 1/20 0.45
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL11634149 0.89 TSHR (0.54) TSHRHTR2AHTR2CHTR2BTRPM4
SCHEMBL11079790 0.87 PPARA (0.52) TSHRLMNASMN1; SMN2MAPTHTT
SCHEMBL11810480 0.84 POLB (0.47) LMNASMN1; SMN2NPSR1NPC1GAA
SCHEMBL11837009 0.81 TSHR (0.57) TSHRHTR2AHTR2CHTR2BTRPM4
SCHEMBL11634328 0.80 POLB (0.50) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL11513946 0.80 TSHR (0.56) TSHRHTR2AHTR2CHTR2BTRPM4
SCHEMBL11804116 0.78 PPARA (0.50) MAPTCYP1A2MEN1KMT2A
SCHEMBL11809429 0.77 OGG1 (0.47) MAPTNPC1HPGDKDM4EALOX15
SCHEMBL11809480 0.77 LMNA (0.41) TSHRLMNASMN1; SMN2GAAMAPK1
SCHEMBL11807746 0.76 SMN1; SMN2 (0.42) LMNASMN1; SMN2MAPTNPC1HPGD

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
US-4079142-A 1-Propyl-triazolyl antimycotic compositions and methods of treating mycoses BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US disclosed
US-3993765-A ANTIMUCOTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed
US-3972892-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed