SCHEMBL6201373

SCHEMBL6201373

C=CCCC[CH]CC=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL43730 0.80
SCHEMBL9655529 0.80 TSHR (0.37) TSHRALDH1A1ALOX15LMNAABCC4
SCHEMBL9655533 0.80 TSHR (0.37) TSHRALDH1A1ALOX15LMNAABCC4
SCHEMBL9408476 0.79 TSHR (0.48) TSHRALDH1A1ALOX15LMNAABCC4
SCHEMBL5140414 0.78 TSHR (0.44) TSHRALDH1A1ALOX15ABCC4MAPT
SCHEMBL3720954 0.78 TSHR (0.46) TSHRALDH1A1ALOX15LMNAABCC4
SCHEMBL10456179 0.76 TSHR (0.43) TSHRALDH1A1ALOX15KMT2A
SCHEMBL7192121 0.76 CYP19A1 (0.36) TSHRALDH1A1ALOX15KMT2A
SCHEMBL3683778 0.76 TSHR (0.50) TSHRALDH1A1ALOX15LMNAABCC4
SCHEMBL383448 0.75 TSHR (0.48) TSHRALDH1A1ALOX15LMNAABCC4

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
WO-2023063169-A1 PEST CONTROL COMPOSITION ダイキン工業株式会社 2023-04-20 WO disclosed
WO-2023063168-A1 PEST CONTROLLING COMPOSITION ダイキン工業株式会社 2023-04-20 WO disclosed
EP-1213290-B1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA PHARMACEUTICAL (JP) 2005-04-20 EP disclosed