SCHEMBL8780496

SCHEMBL8780496

CCCC(C)(C)c1cc(Cc2cc(C)c(N)c(C(C)(C)CCC)c2)cc(C)c1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SKP2 Q13309 1/20 0.33
ESR1 P03372 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SHBG P04278 1/20 0.31
AR P10275 1/20 0.30
ESR2 Q92731 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL342291 0.81 POLB (0.45) POLBESR1ALDH1A1TP53CYP3A4
SCHEMBL29653561 0.81 POLB (0.45) POLBESR1ALDH1A1TP53CYP3A4
SCHEMBL11661680 0.76 HSPA5 (0.42) POLBESR1ALDH1A1TP53CYP3A4
SCHEMBL307367 0.73 ALDH1A1 (0.55) POLBSKP2ESR1ALDH1A1TP53
SCHEMBL15745652 0.72 AR (0.34) POLBESR1ALDH1A1SHBGAR
Ammonia Solution, Strong SCHEMBL3031871 0.71 ALDH1A1 (0.52) POLBSKP2ESR1ALDH1A1TP53
SCHEMBL15733061 0.70 SMN1; SMN2 (0.45) POLBESR1ALDH1A1TP53CYP3A4
SCHEMBL2155153 0.69 POLB (0.41) POLBSKP2ESR1ALDH1A1TP53
SCHEMBL10905421 0.69 HSPA5 (0.37) POLBESR1ALDH1A1TP53CYP3A4
SCHEMBL8861189 0.68 SHBG (0.41) SKP2ALDH1A1TP53CYP3A4TSHR

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
EP-0477440-B1 Self-locking agent THREE BOND CO LTD (JP) 1997-12-03 EP disclosed
US-5352308-A Self-locking agent THREE BOND CO., LTD. (JP) 1994-10-04 US disclosed
EP-0477440-A1 Self-locking agent THREE BOND CO., LTD. (JP) 1992-04-01 EP disclosed