SCHEMBL10405802

SCHEMBL10405802

COCCCCCCCCc1ccc(OCOC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
FFAR1 O14842 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
CALM1 P0DP23 1/20 0.41
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
IGF1R P08069 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
SCHEMBL21469934 0.86 HRH3 (0.49) TDP1L3MBTL1MEN1USP2ALDH1A1
SCHEMBL9015403 0.86 ALDH1A1 (0.56) L3MBTL1MEN1USP2ALDH1A1LMNA
SCHEMBL10405439 0.86 ALDH1A1 (0.56) L3MBTL1MEN1USP2ALDH1A1LMNA
SCHEMBL10405522 0.84 MEN1 (0.51) TDP1L3MBTL1MEN1USP2ALDH1A1
SCHEMBL13313190 0.83 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL874149 0.82 TAAR1 (0.48) CALM1
SCHEMBL9833543 0.82 CALM1 (0.41) TDP1L3MBTL1MEN1USP2ALDH1A1
SCHEMBL874531 0.81 ALDH1A1 (0.47) L3MBTL1MEN1USP2ALDH1A1LMNA
SCHEMBL13313172 0.81 CALM1 (0.60) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL10406182 0.80 TDP1 (0.64) TDP1L3MBTL1MEN1LMNAKMT2A

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
US-4933329-A Bis-S-alkylbenzene derivatives GREEN CROSS CORPORATION (JP) 1990-06-12 US disclosed
EP-0319947-A2 Bis-S-alkylbenzene derivatives GREEN CROSS CORPORATION (JP) 1989-06-14 EP disclosed