SCHEMBL8770752

SCHEMBL8770752

CCCCCCCCCCCCCCSc1c(SCCCCCCCCCCCCCC)c(SCCCCCCCCCCCCCC)c(SCCCCCCCCCCCCCC)c(SCCCCCCCCCCCCCC)c1SCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
THRB P10828 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
GPR84 Q9NQS5 2/20 0.40
HAO1 Q9UJM8 1/20 0.40
CES2 O00748 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SOAT1 P35610 4/20 0.39

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
SCHEMBL8770498 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL8770742 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL8770626 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL8770604 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL10635243 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL10691305 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL8770571 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL8770555 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL7230903 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL7234564 1.00 ALDH1A1 (0.50) ALDH1A1THRBTSHRSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798366-A2 Lubricant NEMATEL Dr. Rudolf Eidenschink (DE) 1997-10-01 EP disclosed
US-4734522-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-03-29 US disclosed
US-4578210-A Carbocyclic six-membered ring compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-03-25 US disclosed
EP-0134576-A2 Carbocyclic six-membered ring compounds MERCK PATENT GmbH (DE) 1985-03-20 EP disclosed