SCHEMBL11073141

SCHEMBL11073141

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 7/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
GSR P00390 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
PABPC1 P11940 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
SCHEMBL11066786 0.92 ALDH1A1 (0.45) AKR1B1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL11158853 0.89 AKR1B1 (0.50) AKR1B1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL11068179 0.88 L3MBTL1 (0.45) AKR1B1ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL11065512 0.86 MAPK14 (0.40) AKR1B1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL11065609 0.86 HRH1 (0.39) AKR1B1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL11182632 0.83 SMN1; SMN2 (0.35) ALDH1A1L3MBTL1KDM4ESMN1; SMN2MAPT
SCHEMBL11187765 0.82 L3MBTL1 (0.35) ALDH1A1L3MBTL1SMN1; SMN2MAPTGAA
SCHEMBL11073350 0.81 AKR1B1 (0.45) AKR1B1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL11059241 0.81 SMN1; SMN2 (0.39) AKR1B1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL11068485 0.79 L3MBTL1 (0.42) ALDH1A1L3MBTL1KDM4ESMN1; SMN2MAPT

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
EP-0024807-A1 Benzocycloheptapyrrolealkanoic acids and their derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-03-11 EP disclosed