SCHEMBL11170203

SCHEMBL11170203

CCn1c(=O)c2cc3c(=O)oc(=O)c3cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ SRC P12931 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 1/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ MPO P05164 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ EEF2K O00418 1/20 0.33

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
SCHEMBL14197253 0.90 SRC (0.42) ALDH1A1SRCGAATSHRCYP1A2
SCHEMBL11267711 0.87 ALDH1A1 (0.58) ALDH1A1SRCGAATSHRCYP1A2
SCHEMBL862366 0.78 ALDH1A1 (0.55) ALDH1A1SRCGAATSHRCYP1A2
SCHEMBL13567140 0.78 TDP1 (0.49) ALDH1A1GAAKDM4EHPGD
SCHEMBL12001018 0.76 ALDH1A1 (0.38) ALDH1A1GAATSHRCYP1A2POLB
SCHEMBL13812446 0.75 ALDH1A1 (0.47) ALDH1A1SRCGAATSHRCYP1A2
SCHEMBL15763 0.74 CYP1A2 (0.43) ALDH1A1SRCGAACYP1A2POLB
SCHEMBL12740489 0.73 CA12 (0.50) ALDH1A1SRCGAACYP1A2POLB
SCHEMBL14392306 0.73 ALDH1A1 (0.46) ALDH1A1SRCGAATSHRCYP1A2
SCHEMBL13527615 0.72 ALDH1A1 (0.44) ALDH1A1SRCGAATSHRCYP1A2

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-0010440-B1 PYROMELLITIC DIIMIDES, PROCESSES FOR THEIR PREPARATION, THESE COMPOUNDS IN ORALLY ADMINISTRABLE FORM FOR USE IN INCREASING THE FEED EFFICIENCY OF A RUMINANT ANIMAL AND COMPOSITIONS FOR THIS PURPOSE CONTAINING THEM MERCK & CO. INC. (US) 1983-01-26 — — EP disclosed
US-4289784-A ASYMMETRICALLY SUBSTITUTED MERCK & CO., INC. (US) 1981-09-15 — — US disclosed
EP-0010440-A1 Pyromellitic diimides, processes for their preparation, these compounds in orally administrable form for use in increasing the feed efficiency of a ruminant animal and compositions for this purpose containing them MERCK & CO. INC. (US) 1980-04-30 — — EP disclosed
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