SCHEMBL9942708

SCHEMBL9942708

CCCCOc1ccc(C#CC(O)c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.49
TSHR P16473 1/20 0.44
CXCL12 P48061 1/20 0.44
ACACB O00763 4/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5172544 0.87 APP (0.41) FAAHCXCL12ACACBMEN1KMT2A
SCHEMBL1818040 0.87 FAAH (0.48) FAAHACACBMAPK1SMN1; SMN2
SCHEMBL22122710 0.86 LTA4H (0.50) FAAHTSHRTP53
SCHEMBL3924311 0.82 APP (0.46) ACACBMEN1KMT2AMAPK1
SCHEMBL8377181 0.82 TSHR (0.55) FAAHTSHRACACBTP53SMN1; SMN2
SCHEMBL8376570 0.79 NR5A1 (0.53) FAAHTSHRACACBTP53SMN1; SMN2
SCHEMBL20865650 0.77 ACHE (0.45) MEN1KMT2ASMN1; SMN2
SCHEMBL9508533 0.77 CYP2D6 (0.54) FAAHTSHRTP53SMN1; SMN2
SCHEMBL8519007 0.77 NR5A1 (0.56) FAAHTSHRMEN1KMT2ATP53
SCHEMBL4270834 0.76 TSHR (0.64) FAAHTSHRTP53SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652552-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
WO-2012082299-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed