SCHEMBL11634149

SCHEMBL11634149

Cc1cc(Cl)ccc1OC(CCl)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
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALOX12 P18054 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 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
SCHEMBL11635945 0.89 TSHR (0.54) TSHRHTR2AHTR2CHTR2BTRPM4
SCHEMBL11809571 0.87 SMN1; SMN2 (0.40) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL11808874 0.84 POLB (0.47) LMNASMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL11823419 0.81 MEN1 (0.40) TSHRLMNAMAPTSMN1; SMN2NPC1
SCHEMBL11837009 0.81 TSHR (0.57) TSHRHTR2AHTR2CHTR2BTRPM4
SCHEMBL11513946 0.80 TSHR (0.56) TSHRHTR2AHTR2CHTR2BTRPM4
SCHEMBL11825343 0.79 CYP2C9 (0.47) TSHRHTR2BLMNAMAPTSMN1; SMN2
SCHEMBL11806845 0.78 PPARA (0.50) MAPTCYP1A2MEN1KMT2ASLC6A2
SCHEMBL11634328 0.78 POLB (0.50) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL11803263 0.77 OGG1 (0.47) MAPTNPC1RAB9AKDM4EALOX15

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