SCHEMBL9345157

SCHEMBL9345157

CCCCCC1CCCCC1CCCOc1nnc(-c2ccc(OC)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 2/20 0.41
NPC1 O15118 3/20 0.40
DDX3X O00571 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
DCTPP1 Q9H773 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
SCHEMBL9345444 0.93 RAB9A (0.53) RAB9AMAPTLMNASMN1; SMN2HPGD
SCHEMBL9344238 0.92 RAB9A (0.52) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL9344398 0.91 RAB9A (0.51) RAB9AMAPTLMNASMN1; SMN2HPGD
SCHEMBL9346339 0.91 RAB9A (0.51) RAB9AMAPTLMNASMN1; SMN2HPGD
SCHEMBL9345358 0.91 RAB9A (0.51) RAB9AMAPTLMNASMN1; SMN2HPGD
SCHEMBL9593565 0.91 RAB9A (0.48) RAB9AMAPTLMNAHRH3SMN1; SMN2
SCHEMBL9349057 0.91 RAB9A (0.51) RAB9AMAPTLMNASMN1; SMN2HPGD
SCHEMBL9349391 0.91 RAB9A (0.51) RAB9AMAPTLMNASMN1; SMN2HPGD
SCHEMBL9345766 0.91 RAB9A (0.51) RAB9AMAPTLMNASMN1; SMN2HPGD
SCHEMBL9345153 0.91 RAB9A (0.47) RAB9AMAPTLMNAHRH3SMN1; SMN2

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
EP-0344557-B1 Liquid crystal components with a trimethylenoxy group HOFFMANN LA ROCHE (CH) 1994-08-10 EP disclosed
US-5238600-A IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US disclosed
EP-0344557-A2 Liquid crystal components with a trimethylenoxy group F. HOFFMANN-LA ROCHE AG (CH) 1989-12-06 EP disclosed