SCHEMBL28062980

SCHEMBL28062980

CC(C)C1Cc2c(ccc3c2ccc2ccccc23)C(C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.39
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
AHR P35869 1/20 0.34
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2A6 P11509 1/20 0.33
KDM1A O60341 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL28140264 0.86 HPRT1 (0.39) HPRT1TDP1ALDH1A1MAPTCYP1A2
SCHEMBL28140265 0.81 HPRT1 (0.34) HPRT1TDP1ALDH1A1MAPTCYP1A2
SCHEMBL28141013 0.79 TAAR1 (0.34) HPRT1TDP1ALDH1A1NPC1RAB9A
SCHEMBL28140241 0.76 ALDH1A1 (0.40) HPRT1TDP1ALDH1A1MAPTCYP1A2
SCHEMBL28140237 0.73 HPRT1 (0.40) HPRT1TDP1ALDH1A1MAPTCYP1A2
SCHEMBL8740444 0.72 HPRT1 (0.50) HPRT1TDP1ALDH1A1MAPTCYP1A2
SCHEMBL28200993 0.71 HPRT1 (0.44) HPRT1TDP1ALDH1A1MAPTCYP1A2
SCHEMBL27763377 0.69 KDM1A (0.41) HPRT1TDP1ALDH1A1MAPTCYP1A2
SCHEMBL27331555 0.69 ALDH1A1 (0.41) HPRT1TDP1ALDH1A1MAPTCYP1A2
SCHEMBL27360664 0.69 MAPT (0.42) HPRT1TDP1ALDH1A1MAPTCYP1A2

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
CN-104662030-B Transition metal compound, catalyst for olefin polymerization, and process for producing olefin polymer 三井化学株式会社 2017-05-17 CN disclosed
CN-104662050-B Process for producing olefin polymer and olefin polymer 三井化学株式会社 2017-03-22 CN disclosed
CN-105646876-A Method for preparing polyesteramide 南京工业大学 2016-06-08 CN disclosed