SCHEMBL11560680

SCHEMBL11560680

CCN1c2cc(NC(C)=O)ccc2OC(CC(=O)O)C1CN1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 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
SCHEMBL11558455 0.87 RIPK1 (0.37) RIPK1KDM4ERORCCYP2D6OPRK1
SCHEMBL11556325 0.85 TSHR (0.42) LMNAL3MBTL1NPSR1ALDH1A1HSD17B10
SCHEMBL11557137 0.84 ALOX15 (0.46) LMNATHRBNPSR1ALDH1A1POLB
SCHEMBL11561701 0.84 MCL1 (0.36) LMNANPSR1ALDH1A1POLBHSD17B10
SCHEMBL11555657 0.82 P2RX7 (0.38) ALDH1A1TRPV1RORC
SCHEMBL11564389 0.82 AKR1B1 (0.36) L3MBTL1ALDH1A1POLBKDM4EHSD17B10
SCHEMBL11076395 0.67 CYP1A2 (0.48) LMNARIPK1CYP1A2CYP2C19NPSR1
SCHEMBL11560739 0.63 NQO2 (0.40) THRBCYP1A2CYP2C19NPSR1ALDH1A1
SCHEMBL6307140 0.63 ITGB3 (0.66) CYP1A2CYP2C19NPSR1MAPTCYP2D6
SCHEMBL6345014 0.63 ITGB3 (0.66) CYP1A2CYP2C19NPSR1MAPTCYP2D6

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-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 — — US disclosed
Send feedback