SCHEMBL7635776

SCHEMBL7635776

CC1=CC(c2ccccc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
HPGD P15428 1/20 0.31
CYP2A6 P11509 1/20 0.30
CYP2B6 P20813 1/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL1824459 1.00 ALDH1A1 (0.35) ALDH1A1L3MBTL1LMNATSHRALOX12
SCHEMBL17147179 0.78 CYP1A2 (0.34) ALDH1A1LMNACYP2A6
SCHEMBL17135804 0.78 ACHE (0.37) LMNAACHE
SCHEMBL22369309 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1028408 0.74 SIGMAR1 (0.39) ALDH1A1LMNAHPGD
SCHEMBL6570080 0.74 SIGMAR1 (0.39) ALDH1A1LMNAHPGD
SCHEMBL17135799 0.74 KIF11 (0.41) LMNA
SCHEMBL27549604 0.73 CYP1A2 (0.37) ALDH1A1L3MBTL1LMNATSHRHPGD
SCHEMBL28295103 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21480444 0.72 L3MBTL1 (0.31) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455458-B1 HIGH MOLECULAR WEIGHT POLYOLEFIN; GROUP 4 TRANSITION METAL COMPLEXES HAVING A BIDENTATE ANCILLARY LIGAND SYSTEM OF ONE CYCLOPENTADIENYL GROUP BOUND TO THE TRANSITION METAL AND A GROUP 15 OR GROUP 16 ATOM COVALENTLY BOUND THROUGH A BRIDGING EXXONMOBIL CHEMICAL PATENTS INC. 2002-09-24 US disclosed