SCHEMBL11184087

SCHEMBL11184087

CCCCCCOC(=O)Oc1ccc(-c2ncc3c(n2)CCC(C)C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ LMNA P02545 5/20 0.42
▸ NPC1 O15118 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NFKB1 P19838 3/20 0.39
▸ NFKB2 Q00653 3/20 0.39
▸ RELA Q04206 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL11184001 0.99 MAPT (0.43) MAPTLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL11186480 0.97 LMNA (0.44) MAPTLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL11183050 0.92 MAPT (0.41) MAPTLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL11185754 0.90 NPC1 (0.39) MAPTLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL11188206 0.89 SGPL1 (0.40) MAPTLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL11187080 0.89 SGPL1 (0.40) MAPTLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL11185454 0.89 SGPL1 (0.40) MAPTLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL11193910 0.89 SGPL1 (0.40) MAPTLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL11178627 0.89 SGPL1 (0.40) MAPTLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL11185828 0.89 SGPL1 (0.40) MAPTLMNANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4402849-A DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-09-06 — — US disclosed
EP-0031021-B1 TETRAHYDROQUINAZOLINES, PROCESS FOR THEIR PREPARATION, LIQUID CRYSTALLINE DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1983-05-18 — — EP disclosed
EP-0031021-A1 Tetrahydroquinazolines, process for their preparation, liquid crystalline dielectrics containing them and electro-optical display element MERCK PATENT GmbH (DE) 1981-07-01 — — EP disclosed
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