SCHEMBL29295249

SCHEMBL29295249

CCCCc1ccc(C2OCC3(CCC(c4ccc(N5CCN(C)CC5)cc4)OC3)CO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
ADRA1D P25100 1/20 0.36
CHKA P35790 1/20 0.34
HDAC3 O15379 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
L3MBTL3 Q96JM7 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NCF1 P14598 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SPHK1 Q9NYA1 2/20 0.32

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
SCHEMBL10306614 0.89 S1PR1 (0.42) S1PR1ADRA1DCHKAHDAC3HDAC8
SCHEMBL2014463 0.78 S1PR1 (0.42) S1PR1ADRA1DCHKAHDAC3HDAC8
SCHEMBL2014460 0.78 S1PR1 (0.42) S1PR1ADRA1DCHKAHDAC3HDAC8
SCHEMBL23771214 0.78 ALDH1A1 (0.47) CHKAHDAC3HDAC8L3MBTL1NCF1
SCHEMBL2014436 0.77 S1PR1 (0.39) S1PR1ADRA1DL3MBTL3L3MBTL1SPHK1
SCHEMBL17929332 0.72 HDAC3 (0.34) HDAC3HDAC8
SCHEMBL17553360 0.71 KMT2A (0.45)
SCHEMBL12127177 0.69 ADRA1D (0.40) ADRA1DCHKAL3MBTL1
SCHEMBL8353735 0.67 CHKA (0.57) S1PR1CHKAHDAC3HDAC8L3MBTL1
SCHEMBL20799635 0.66 MEN1 (0.40) SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621958-B1 PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2024-07-10 EP disclosed