SCHEMBL616951

SCHEMBL616951

C=CCN(CC=C)C(C)OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 3/20 0.46
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 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
SCHEMBL611039 0.81 PGR (0.57) TSHRTP53RAB9APDCD1CD274
Acetic Acid SCHEMBL28346369 0.78 PGR (0.54) TSHRTP53RAB9APDCD1CD274
SCHEMBL14704211 0.76 LMNA (0.50) TSHRTP53RAB9APDCD1CD274
SCHEMBL27542293 0.76 LMNA (0.50) TSHRTP53RAB9APDCD1CD274
SCHEMBL11148948 0.76 LMNA (0.46) TSHRTP53RAB9APDCD1CD274
SCHEMBL65543 0.75 TSHR (0.55) TSHRTP53RAB9APDCD1CD274
SCHEMBL570149 0.74 TSHR (0.46) TSHRTP53RAB9APDCD1CD274
SCHEMBL9330992 0.74 TSHR (0.53) TSHRTP53RAB9APDCD1CD274
SCHEMBL28805216 0.74 TSHR (0.53) TSHRTP53RAB9APDCD1CD274
Hydrochloric Acid SCHEMBL9728626 0.74 ALDH1A1 (0.43) TSHRTP53RAB9APDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed