SCHEMBL11576987

SCHEMBL11576987

CCN(CC(C)NC)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ GFER P55789 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ TP53 P04637 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CETP P11597 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ THRB P10828 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
SCHEMBL11505004 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4GFERMAPTTP53
SCHEMBL11231848 0.82 TSHR (0.48) MAPTMEN1KMT2ATSHR
SCHEMBL11694475 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4GFERMAPTTP53
SCHEMBL11564341 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4GFERMAPTTP53
SCHEMBL9365623 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4GFERMAPTTP53
SCHEMBL457496 0.79 ALDH1A1 (0.61) ALDH1A1CYP3A4GFERMAPTTP53
SCHEMBL30565134 0.79 ALDH1A1 (0.61) ALDH1A1CYP3A4GFERMAPTTP53
SCHEMBL11146465 0.78 MAPT (0.44) ALDH1A1CYP3A4GFERMAPTTP53
Hydrochloric Acid SCHEMBL9437914 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4GFERMAPTTP53
SCHEMBL13996971 0.78 NPSR1 (0.45) ALDH1A1CYP3A4GFERMAPTTP53

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-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 — — US disclosed
Send feedback