SCHEMBL11152302

SCHEMBL11152302

COC(=O)c1ccc(-c2ccccc2)c(C(=O)OC)c1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 3/20 0.53
PRKCZ Q05513 1/20 0.53
GABRA1 P14867 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA5 P31644 1/20 0.51
MAPT P10636 3/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
EGFR P00533 1/20 0.49
SLC6A3 Q01959 3/20 0.49
SLC6A4 P31645 2/20 0.49
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47

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
SCHEMBL13228930 0.91 HTT (0.62) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL3686832 0.87 LMNA (0.53) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL69682 0.86 SLC6A3 (0.57) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL3576573 0.85 MEN1 (0.58) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL11311111 0.83 CA12 (0.48) ALDH1A1HPGDGABRG2GABRB3GABRA3
SCHEMBL17264239 0.83 CA12 (0.58) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL6490325 0.82 GABRA1 (0.48) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL4576984 0.82 HTT (0.47) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL31636317 0.81 SLC6A3 (0.55) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL29057957 0.81 SLC6A3 (0.55) HTTMEN1KMT2AALDH1A1LMNA

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
US-4411949-A FIRE RESISTANT POLYURETHANES THE CELOTEX CORPORATION (US) 1983-10-25 US disclosed