SCHEMBL11396870

SCHEMBL11396870

Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.60
▸ DRD3 P35462 1/20 0.60
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ GAA P10253 1/20 0.59
▸ LMNA P02545 7/20 0.58
▸ KDM4E B2RXH2 7/20 0.58
▸ HPGD P15428 6/20 0.58
▸ HSD17B10 Q99714 6/20 0.58
▸ BRD4 O60885 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ CYP2J2 P51589 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ CYP1A2 P05177 1/20 0.53
▸ TOP2A P11388 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TOP2B Q02880 1/20 0.53

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
SCHEMBL11394177 0.88 ALDH1A1 (0.76) ALDH1A1DRD3MEN1KMT2AGAA
SCHEMBL11401876 0.86 LMNA (0.61) ALDH1A1DRD3MEN1KMT2AGAA
SCHEMBL11392814 0.86 ALDH1A1 (0.74) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL30605634 0.86 ALDH1A1 (0.74) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL15281998 0.86 ALDH1A1 (0.69) ALDH1A1DRD3MEN1KMT2AGAA
SCHEMBL21828810 0.85 MEN1 (0.79) ALDH1A1DRD3MEN1KMT2AGAA
SCHEMBL28334653 0.85 ALDH1A1 (0.78) ALDH1A1DRD3MEN1KMT2AGAA
SCHEMBL10923387 0.85 MEN1 (0.58) ALDH1A1DRD3MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL11026221 0.85 ALDH1A1 (0.73) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL12665433 0.84 ALDH1A1 (0.61) ALDH1A1DRD3MEN1KMT2ALMNA

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-4292317-A BACTERICIDES FOR GRAM NEGATIVE AND -POSITIVE BACTERIA; ANIMAL GROWTH REGULATORS LABORATORIE ROGER BELLON (FR) 1981-09-29 — — US disclosed
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