SCHEMBL14412753

SCHEMBL14412753

CC(CCC[C@@H](C)CO)[C@H]1CCC2C3=CCC4(N)CC(=O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ USP2 O75604 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ DHCR24 Q15392 4/20 0.41
▸ OSBP P22059 2/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ GPR183 P32249 2/20 0.39
▸ THRB P10828 1/20 0.38
▸ CDC25B P30305 3/20 0.38
▸ CDC25A P30304 2/20 0.38
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL5335972 0.81 USP2 (0.53) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL14412606 0.79 CYP3A4 (0.59) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL14412597 0.79 CYP3A4 (0.59) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL12869788 0.79 CYP3A4 (0.59) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL12869830 0.79 CYP3A4 (0.59) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL5341638 0.77 USP2 (0.49) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL5346604 0.77 USP2 (0.49) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL14412747 0.74 MEN1 (0.49) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL14412602 0.74 MEN1 (0.49) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL14412743 0.74 MEN1 (0.49) MEN1KMT2AALDH1A1USP2MAPT

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
WO-2007103508-A2 LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2007-09-13 — — WO disclosed
Send feedback