SCHEMBL11835817

SCHEMBL11835817

Cc1ccc2c(c1)c(-c1ccccc1)nn2CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ TSHR P16473 1/20 0.61
▸ THRB P10828 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KMO O15229 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL5412777 0.85 KMT2A (0.48) KDM4EHSD17B10TSHRTHRBMAPT
SCHEMBL11835704 0.82 MAPT (0.49) KDM4EHSD17B10TSHRTHRBMAPT
Oxalic Acid SCHEMBL11834754 0.81 KDM4E (0.51) KDM4EHSD17B10TSHRTHRBMAPT
SCHEMBL11845306 0.81 KDM4E (0.49) KDM4EHSD17B10TSHRTHRBMAPT
SCHEMBL11834527 0.81 KDM4E (0.43) KDM4EHSD17B10TSHRTHRBMAPT
SCHEMBL15631874 0.80 MAPT (0.77) KDM4EHSD17B10TSHRTHRBMAPT
Hydrochloric Acid SCHEMBL11843968 0.80 KDM4E (0.42) KDM4EHSD17B10TSHRTHRBMAPT
SCHEMBL11843862 0.79 KDM4E (0.47) KDM4EHSD17B10TSHRTHRBMAPT
SCHEMBL11838059 0.79 KDM4E (0.47) KDM4EHSD17B10TSHRTHRBMAPT
SCHEMBL11834839 0.79 POLB (0.43) KDM4EHSD17B10TSHRTHRBMAPT

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-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US disclosed
Send feedback