SCHEMBL11705372

SCHEMBL11705372

C/C(=C/C(=O)O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 1/20 0.51
CASP2 P42575 1/20 0.44
HIF1A Q16665 8/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPAS1 Q99814 4/20 0.43
EPHX2 P34913 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL11705383 1.00 NPC1 (0.51) NPC1MEN1KMT2ARAB9ACASP2
SCHEMBL11704384 0.83 MEN1 (0.49) NPC1MEN1KMT2ARAB9ACASP2
SCHEMBL11704358 0.83 MEN1 (0.49) NPC1MEN1KMT2ARAB9ACASP2
SCHEMBL2721139 0.82 NPC1 (0.59) NPC1MEN1KMT2ARAB9ACASP2
SCHEMBL11704343 0.80 MEN1 (0.49) NPC1MEN1KMT2ARAB9ACASP2
SCHEMBL11704347 0.80 MEN1 (0.49) NPC1MEN1KMT2ARAB9ACASP2
SCHEMBL15239562 0.75 HIF1A (0.59) NPC1MEN1KMT2ARAB9ACASP2
SCHEMBL15239559 0.75 HIF1A (0.59) NPC1MEN1KMT2ARAB9ACASP2
SCHEMBL28686352 0.75 MEN1 (0.68) NPC1MEN1KMT2ARAB9ACASP2
SCHEMBL16158225 0.74 MEN1 (0.74) NPC1MEN1KMT2ARAB9ACASP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4035413-A ANTIALLERGENS, ANTILIPAEMIC AGENTS CIBA-GEIGY CORPORATION (US) 1977-07-12 US disclosed
US-4013719-A ANTILIPEMIC, ANTIALLERGEN CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-4000183-A ANTIALLERGENS AND HYPOLIPIDAEMIC AGENTS CIBA-GEIGY CORPORATION (US) 1976-12-28 US disclosed
US-4000144-A HYPOLIPIDAEMIC AGENTS AND ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1976-12-28 US disclosed
US-3933835-A ANTIALLERGENS, HYPOLIPIDAEMIC CIBA-GEIGY CORPORATION (US) 1976-01-20 US disclosed