SCHEMBL4073582

SCHEMBL4073582

C=Cc1ccc(CCCC)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.46
THRA P10827 5/20 0.46
SKP2 Q13309 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL12802098 0.91 THRA (0.44) THRBTHRASKP2MEN1KMT2A
SCHEMBL28780014 0.86 THRB (0.39) THRBTHRASKP2MEN1KMT2A
SCHEMBL12802055 0.86 TLR8 (0.47) THRBTHRAMEN1KMT2ACYP3A4
SCHEMBL15874748 0.85 TLR8 (0.48) THRBTHRAMEN1KMT2ACYP3A4
SCHEMBL12802342 0.85 TLR8 (0.48) THRBTHRAMEN1KMT2ACYP3A4
SCHEMBL15874933 0.85 TLR8 (0.48) THRBTHRAMEN1KMT2ACYP3A4
SCHEMBL10534647 0.84 THRB (0.46) THRBTHRASKP2MEN1KMT2A
SCHEMBL668126 0.83 TRPA1 (0.39) MEN1KMT2ACYP2C9CYP1A2ALDH1A1
SCHEMBL29600683 0.83 TRPA1 (0.39) MEN1KMT2ACYP2C9CYP1A2ALDH1A1
SCHEMBL27119369 0.82 SIGMAR1 (0.45) THRBTHRAMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019120-B1 BLOCK COPOLYMERS NIPPON SODA CO (JP) 2016-04-13 EP disclosed
US-8193285-B2 Block copolymers NIPPON SODA CO., LTD. (JP) 2012-06-05 US disclosed
US-20090253867-A1 BLOCK COPOLYMERS NIPPON SODA CO., LTD. (JP) 2009-10-08 US disclosed
EP-2019120-A1 BLOCK COPOLYMERS Nippon Soda Co., Ltd. (JP) 2009-01-28 EP disclosed