SCHEMBL13638756

SCHEMBL13638756

CC(C)(C)CC(c1ccc([N+](=O)[O-])cc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 5/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 2/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 3/20 0.42
ACHE P22303 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BCHE P06276 1/20 0.41
IDO1 P14902 2/20 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
SCHEMBL9969436 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTCYP3A4TSHR
SCHEMBL16788783 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTCYP3A4TSHR
SCHEMBL12939649 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTCYP3A4TSHR
SCHEMBL14681197 0.80 CA9 (0.42) ALDH1A1KDM4EMAPTCYP3A4TSHR
SCHEMBL18177878 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTCYP3A4TSHR
SCHEMBL15219723 0.74 ALDH1A1 (0.41) ALDH1A1TSHRHPGDHSD17B10ACHE
SCHEMBL18697147 0.74
SCHEMBL16788791 0.73 LOXL2 (0.44) ALDH1A1KDM4ETSHRCYP1A2HPGD
SCHEMBL23376909 0.73
SCHEMBL14255416 0.73 ACACB (0.38)

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
US-8304079-B2 ANISOTROPIC UNITS ; POSITIVE BIREFRINGEMENT; SOLUTION CASTING; AKRON POLYMER SYSTEMS (US) 2012-11-06 US disclosed
US-20080241565-A1 Optical compensation films with birefringence enhancing substituents for liquid crystal display AKRON POLYMER SYSTEMS 2008-10-02 US disclosed