SCHEMBL27875996

SCHEMBL27875996

C=CCCCc1ccccc1.Cc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 8/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ FABP4 P15090 1/20 0.41

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
SCHEMBL28058314 0.91 GPR52 (0.49) GPR52PTGER1MAPTFABP4ALDH1A1
Allylbenzene SCHEMBL27892656 0.81 PTGER1 (0.47) HPGDPTGER1FABP4MYCALDH1A1
Hydrocinnamyl Alcohol SCHEMBL27417497 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HPGDPTGER1MAPTHDAC3
SCHEMBL28152528 0.81 TSHR (0.48) MAPTALDH1A1
SCHEMBL27919513 0.80 TSHR (0.44) SMN1; SMN2HPGDPTGER1MYCALDH1A1
SCHEMBL28019900 0.79 PLK1 (0.60) MAPTALDH1A1
SCHEMBL28019372 0.79 PLK1 (0.60) MAPTALDH1A1
SCHEMBL28019371 0.79 PLK1 (0.60) MAPTALDH1A1
SCHEMBL28019889 0.79 PLK1 (0.60) MAPTALDH1A1
SCHEMBL106849 0.79 SIGMAR1 (0.48) SMN1; SMN2HPGDHDAC3MAPK1ADRA1A

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
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