SCHEMBL9767717

SCHEMBL9767717

C=CCCCCCCCCCCCCCCCOC(=O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)OCCCCCCCCCCCCCCCC=C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
ABCC4 O15439 1/20 0.41
HTT P42858 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9767684 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRMAPTLMNA
SCHEMBL29220249 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRMAPTLMNA
SCHEMBL18117698 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRMAPTLMNA
SCHEMBL6509552 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRMAPTLMNA
SCHEMBL29220154 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRMAPTLMNA
SCHEMBL28886706 0.85 TDP1 (0.50) ALDH1A1L3MBTL1TSHRLMNATDP1
SCHEMBL9767720 0.84 TSHR (0.59) ALDH1A1TSHRLMNAHTTTDP1
SCHEMBL6516856 0.83 TSHR (0.55) ALDH1A1L3MBTL1TSHRMAPTLMNA
SCHEMBL13551285 0.81 TSHR (0.41) ALDH1A1TSHRMAPTLMNAABCC4
SCHEMBL30901527 0.81 TSHR (0.63) ALDH1A1L3MBTL1TSHRMAPTLMNA

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-5043248-A Photosensitive thin films KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-08-27 US disclosed
EP-0262446-A2 Photosensitive amphiphilic high polymers and process for their production KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-04-06 EP disclosed