SCHEMBL8665580

SCHEMBL8665580

C=C(c1ccccc1)c1ccc(C(CC)c2ccc(C(=C)c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 4/20 0.42
ATM Q13315 2/20 0.41
HSD17B10 Q99714 2/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
EGFR P00533 2/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL6546812 0.85 MEN1 (0.47) MEN1KMT2ALMNAATMHSD17B10
SCHEMBL6547367 0.79 MEN1 (0.53) MEN1KMT2ALMNAATMHSD17B10
SCHEMBL12506256 0.78 HTR2A (0.56) LMNAHKDC1TDP1HTR2AHRH1
SCHEMBL894135 0.78 MEN1 (0.65) MEN1KMT2ALMNAATMHSD17B10
SCHEMBL27344332 0.76 LMNA (0.50) LMNAHSD17B10MAPTHTTALDH1A1
SCHEMBL29057338 0.76 ALDH1A1 (0.53) LMNAHSD17B10MAPTHTTCYP3A4
SCHEMBL24355054 0.75 MEN1 (0.53) MEN1KMT2AATMHSD17B10MAPT
SCHEMBL6546186 0.75 TP53 (0.54) MEN1KMT2ALMNAATMHSD17B10
SCHEMBL54346 0.75 HTR2A (0.59) LMNAHKDC1TDP1HTR2AHRH1
Ethane SCHEMBL27455181 0.75 MEN1 (0.62) MEN1KMT2ALMNAATMHSD17B10

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
US-5690861-A Coupling of polymers made by cationic polymerization UNIVERSITY OF MASSACHUSETTS LOWELL (US) 1997-11-25 US claimed
US-5777044-A Coupling of polymers made by cationic polymerization UNIVERSITY OF MASSACHUSETTS LOWELL (US) 1998-07-07 US disclosed
US-5690861-A Coupling of polymers made by cationic polymerization UNIVERSITY OF MASSACHUSETTS LOWELL (US) 1997-11-25 US disclosed