SCHEMBL9033779

SCHEMBL9033779

CCOC(=O)CCCOc1ccccc1NC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
LTA4H P09960 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
THRB P10828 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL7369166 0.94 LTA4H (0.48) GAALTA4HTDP1L3MBTL1THRB
SCHEMBL6594125 0.87 MAPT (0.51) GAALTA4HTDP1L3MBTL1THRB
SCHEMBL29213722 0.82 TDP1 (0.64) TDP1KMT2AALDH1A1CYP2C19
SCHEMBL8159189 0.81 GAA (0.58) GAATDP1L3MBTL1KMT2AALDH1A1
SCHEMBL3267158 0.81 TDP1 (0.51) LTA4HTDP1L3MBTL1CYP4F2CYP4A11
SCHEMBL3268399 0.81 JAK2 (0.53) GAALTA4HTDP1L3MBTL1CYP4F2
SCHEMBL27921658 0.81 LMNA (0.59) TDP1L3MBTL1KMT2AALDH1A1CYP2C19
SCHEMBL8158041 0.80 PPARG (0.58) LTA4HTDP1L3MBTL1CYP4F2CYP4A11
SCHEMBL8162740 0.80 GAA (0.56) GAATDP1L3MBTL1KMT2AALDH1A1
SCHEMBL2987183 0.79 CYP1A2 (0.58) LTA4HTDP1L3MBTL1CYP4F2CYP4A11

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
EP-0511477-B1 Indole derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-10 EP disclosed
US-5239083-A Anticarcinogenic agents, prostate cancer treatment KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-24 US disclosed
EP-0511477-A1 Indole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-11-04 EP disclosed