SCHEMBL11066786

SCHEMBL11066786

CCOC(=O)Cc1c(C(=O)OCC)c2c(n1C)C(=O)c1ccccc1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.43
IDO1 P14902 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM1A O60341 1/20 0.39

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
SCHEMBL11073141 0.92 AKR1B1 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL11068485 0.88 L3MBTL1 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL11071003 0.86 MAPK14 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL11066911 0.86 KDM1A (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL11186665 0.83 KDM1A (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL11191093 0.82 KDM1A (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL11063915 0.81 MEN1 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL11158853 0.80 AKR1B1 (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL11068179 0.79 L3MBTL1 (0.45) ALDH1A1MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL11065609 0.78 HRH1 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2L3MBTL1

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
US-4444981-A ANTIINFLAMMATORY, ANALGESICS BEECHAM GROUP LIMITED (GB) 1984-04-24 US disclosed
EP-0024807-B1 BENZOCYCLOHEPTAPYRROLEALKANOIC ACIDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-11-02 EP disclosed
US-4359423-A ANALGESICS, ANTIINFLAMMATORY AGENTS BEECHAM GROUP LIMITED (GB) 1982-11-16 US disclosed