SCHEMBL6019760

SCHEMBL6019760

CC(C)CC=CCC(C)CC=CC=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
HTR2A P28223 3/20 0.47
CYP3A4 P08684 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.38
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL7145801 0.93 MAOB (0.56) MAOBHTR2ACYP3A4TRPA1ALDH1A1
SCHEMBL9861894 0.83 HTR2A (0.41) MAOBHTR2ACYP3A4TRPA1ALDH1A1
SCHEMBL2170349 0.79 HTR2A (0.70) MAOBHTR2AIDO1PAM
SCHEMBL14037582 0.79 HTR2A (0.70) MAOBHTR2AIDO1PAM
SCHEMBL107852 0.79 HTR2A (0.70) MAOBHTR2AIDO1PAM
SCHEMBL107851 0.79 HTR2A (0.70) MAOBHTR2AIDO1PAM
SCHEMBL831225 0.79 HTR2A (0.76) MAOBHTR2ACYP3A4TRPA1ALDH1A1
SCHEMBL28072917 0.76 MAOB (0.52) MAOBHTR2ACYP3A4TRPA1ALDH1A1
SCHEMBL27923443 0.75 MAOB (0.47) MAOBHTR2ACYP3A4TRPA1ALDH1A1
Styrene SCHEMBL812462 0.71 HTR2A (0.59) HTR2AALDH1A1IDO1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1356142-B1 NON-POSTDRAWN POLYOLEFIN FIBERS WITH HIGH TENACITY BOREALIS GMBH (AT) 2006-04-19 EP disclosed
EP-1213375-A1 Non-postdrawn polyolefin with high tenacity Borealis GmbH (AT) 2002-06-12 EP disclosed