SCHEMBL28801247

SCHEMBL28801247

C=CC1(c2ccc(CCCC)cc2)C=CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.39
THRA P10827 6/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
OPRL1 P41146 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 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
SCHEMBL27875941 0.85
SCHEMBL27875994 0.84 LPL (0.33) THRBTHRA
SCHEMBL27876017 0.80 HRH3 (0.31)
SCHEMBL27892560 0.76 THRA (0.33) THRBTHRACYP3A4CYP2D6CYP2C9
SCHEMBL28033234 0.74 ESR1 (0.33) ESR1
SCHEMBL28655485 0.74
SCHEMBL22577725 0.74 HDAC4 (0.30)
SCHEMBL27892553 0.72 HCAR3 (0.32)
Benzene SCHEMBL27774129 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10482147 0.70 ESR1 (0.42) THRBTHRAALDH1A1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731722-B For the production of the method for modified conjugated diene polymer, modified conjugated diene polymer and polymer composition SUMITOMO CHEMICAL CO., LTD. (JP) 2016-03-16 CN disclosed
CN-102731722-A Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL CO 2012-10-17 CN disclosed