SCHEMBL4272918

SCHEMBL4272918

C=CCC(C)CC[CH]CCCCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 1/20 0.38
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
OPRM1 P35372 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
FAAH O00519 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
SCHEMBL4202332 0.86 TSHR (0.44) TSHRALDH1A1
SCHEMBL13834842 0.86 TSHR (0.40) TSHRALDH1A1
SCHEMBL10456115 0.85 TSHR (0.45) TSHRFFAR1FFAR4MEN1CYP3A4
SCHEMBL564664 0.81 TSHR (0.42) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL25172364 0.79 TSHR (0.46) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL4556969 0.79 TSHR (0.46) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL1615226 0.79 TSHR (0.46) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL6061890 0.79 ADH1B (0.36) TSHRADH1BADH1CADH1AADH4
SCHEMBL632478 0.79 TSHR (0.46) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL4634958 0.79 ADH1B (0.36) TSHRADH1BADH1CADH1AADH4

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-2009067493-A2 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. (US) 2009-05-28 WO claimed
EP-1830869-A1 METHOD OF TREATMENT OR PROPHYLAXIS THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-12 EP claimed
WO-2006066361-A1 METHOD OF TREATMENT OR PROPHYLAXIS THE UNIVERSITY OF QUEENSLAND (AU) 2006-06-29 WO claimed