SCHEMBL28038607

SCHEMBL28038607

CC(C)=CC(C)=Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
LMNA P02545 4/20 0.41
TYR P14679 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL27807205 1.00 CYP1A2 (0.48) CYP1A2LMNATYRGRIN2DGRIN3B
SCHEMBL9637976 0.83 CYP1A2 (0.50) CYP1A2LMNATYRGRIN2DGRIN3B
SCHEMBL483410 0.80 MEN1 (0.52) CYP1A2LMNATYRGRIN2DGRIN3B
SCHEMBL22612509 0.80 CYP1A2 (0.50) CYP1A2LMNASMN1; SMN2NPC1MAPT
SCHEMBL301782 0.80 MEN1 (0.52) CYP1A2LMNATYRGRIN2DGRIN3B
SCHEMBL119154 0.80 ALDH1A1 (0.59) CYP1A2LMNATYRGRIN2DGRIN3B
SCHEMBL119153 0.80 ALDH1A1 (0.59) CYP1A2LMNATYRGRIN2DGRIN3B
SCHEMBL17285553 0.77 CYP1A2 (0.48) CYP1A2LMNATYRGRIN2DGRIN3B
SCHEMBL8920984 0.77 CYP1A2 (0.46) CYP1A2LMNASMN1; SMN2NPC1MAPT
SCHEMBL8920981 0.77 CYP1A2 (0.46) CYP1A2LMNASMN1; SMN2NPC1MAPT

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
CN-105408387-A Block copolymer and process for preparing the same SAUDI BASIC IND CORP 2016-03-16 CN disclosed
CN-105037416-A Mononuclear vanadium complex, and preparation method and application thereof ASTATECH CHENGDU BIOLOG PHARMACEUTICAL CO LTD 2015-11-11 CN disclosed